A0A077S1I9_CAVPO Loading...

Lysozyme E

AlphaFold DB , UniProt , Accession A0A077S1I9, Species CAVPO (Cavia porcellus, Guinea pig), Gene LYZE, Length 162 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.6Very low55.6Low213 Ų213145.6 Ų145.6100%1.04978%0.778SS**  0106.50-72.5158.467.500106.9F3M1-F3 HydrophobicContact CB-CE2 4.39Å; M1-F3 HydrophobicContact CE-CZ 4.22Å
2Q44Very low56.2Low186 Ų186146.3 Ų146.387%0.86978%0.78SS**  trans-91.9103.1-174-169.6145.5-0.600108.2S4Q2-S4 PolarHBondContact O-N 2.92Å
3F52.9Low56.4Low170 Ų170148.9 Ų148.975%0.74679%0.788SS**  trans-81.591.5170.4-64.9-76.4000107.3M1 S5M1-F3 HydrophobicContact CB-CE2 4.39Å; M1-F3 HydrophobicContact CE-CZ 4.22Å; F3-S5 PolarHBondContact O-N 3.04Å; F3-S5 VanDerWaalsContact O-N 3.1Å
4S53.7Low56.5Low98 Ų98143.6 Ų143.669%0.68578%0.776SS**  trans-70.298.9166.8-86.70000108.5Q2 T6Q2-S4 PolarHBondContact O-N 2.92Å; S4-T6 PolarHBondContact O-N 2.75Å; S4-T6 VanDerWaalsContact O-N 3.15Å
5S56.9Low56.7Low107 Ų107139.9 Ų139.975%0.74877%0.773SS**  trans-74.992.3167.9-630000109.1F3 V7F3-S5 PolarHBondContact O-N 3.04Å; F3-S5 VanDerWaalsContact O-N 3.1Å; S5-V7 PolarHBondContact O-N 2.85Å
6T55.7Low57.1Low126 Ų126141 Ų14177%0.77378%0.777SS**  trans-71.5106.8169.76.90000109.2S4 I8S4-T6 PolarHBondContact O-N 2.75Å; S4-T6 VanDerWaalsContact O-N 3.15Å; T6-I8 PolarHBondContact O-N 2.05Å
7V59.4Low58.2Low127 Ų127137.1 Ų137.177%0.7776%0.758SS**  trans-77.4108.1169.9177.90000108.1S5 M9S5-V7 PolarHBondContact O-N 2.85Å; V7-M9 VanDerWaalsContact C-N 3.3Å; V7-M9 PolarHBondContact O-N 2.82Å; V7-M9 VanDerWaalsContact O-N 3.07Å
8I61.8Low59.8Low144 Ų144134.7 Ų134.774%0.73874%0.744SS**  trans-81.577.8172.6-57.9168.3000108.5T6 I10T6-I8 PolarHBondContact O-N 2.05Å; I8-I10 HydrophobicContact CG2-CG1 4.18Å; I8-I10 PolarHBondContact O-N 3Å
9M61.2Low61.5Low157 Ų157129.1 Ų129.177%0.77372%0.72SS**  33.627.2103.6-85.5-174.3-87.100122.3V7 I11V7-M9 VanDerWaalsContact C-N 3.3Å; V7-M9 PolarHBondContact O-N 2.82Å; V7-M9 VanDerWaalsContact O-N 3.07Å; M9-I11 VanDerWaalsContact C-N 3.33Å; M9-I11 PolarHBondContact O-N 3.27Å
10I64.4Low63.3Low138 Ų138124.7 Ų124.771%0.70869%0.693SS**  trans-68.894.2176.4-58.2175.9000108.5I8 L12I8-I10 HydrophobicContact CG2-CG1 4.18Å; I8-I10 PolarHBondContact O-N 3Å; I10-L12 PolarHBondContact O-N 3.21Å
11I63.3Low64.9Low136 Ų136124.1 Ų124.170%0.69769%0.688SS**  trans-72.6106.5167.1-58.7177.6000105.8M9 M13M9-I11 VanDerWaalsContact C-N 3.33Å; M9-I11 PolarHBondContact O-N 3.27Å; I11-M13 PolarHBondContact O-N 3.38Å
12L62.6Low67.8Low153 Ų153114.6 Ų114.680%0.80164%0.64SS**  trans-59.8107.6163.1-118.582.9000106.2I10 A14I10-L12 PolarHBondContact O-N 3.21Å; L12-A14 PolarHBondContact O-N 2.71Å
13M58.2Low70.4Confident181 Ų181112.6 Ų112.689%0.89263%0.63SS**  trans-6790.5163.5-73-177.6178.500106.2I11 A15I11-M13 PolarHBondContact O-N 3.38Å; M13-A15 PolarHBondContact O-N 3.16Å
14A58Low72.5Confident74 Ų74108 Ų10861%0.61261%0.608SS**  trans-59.9112.5163.200000106L12 N16L12-A14 PolarHBondContact O-N 2.71Å; A14-N16 PolarHBondContact O-N 3.21Å
15A60.1Low74.6Confident89 Ų89105 Ų10574%0.73659%0.587SS**  trans-58.4111.7169.200000106.4M13 V17M13-A15 PolarHBondContact O-N 3.16Å; A15-V17 PolarHBondContact O-N 3.03Å
16N63.7Low76.6Confident157 Ų157103.8 Ų103.884%0.8457%0.569SS**  trans-68.5105.6173.6-67.1-68.9000106.5A14 D18A14-N16 PolarHBondContact O-N 3.21Å; N16-D18 PolarHBondContact O-N 2.93Å; N16-D18 VanDerWaalsContact O-N 3.13Å
17V74.6Confident78.6Confident74 Ų7497.8 Ų97.845%0.44853%0.533SS..  trans-71.3102.3170.6177.70000106.7A15 G19 L102A15-V17 PolarHBondContact O-N 3.03Å; V17-G19 VanDerWaalsContact C-N 3.27Å; V17-G19 PolarHBondContact O-N 3.32Å; V17-L102 HydrophobicContact CG1-CB 3.5Å; V17-L102 VanDerWaalsContact CG1-CB 3.5Å; V17-L102 WeakPolarHBondContact CG1-O 3.04Å
18D87Confident80.4Confident94 Ų9491.8 Ų91.850%0.50350%0.496SS..  trans-79.177.5176.4-17425.1000109.1N16 N103 R104N16-D18 PolarHBondContact O-N 2.93Å; N16-D18 VanDerWaalsContact O-N 3.13Å; D18-N103 CarbonylContact O-C 3.6Å; D18-R104 VanDerWaalsContact O-CB 3.27Å; D18-R104 WeakPolarHBondContact O-CB 3.47Å; D18-R104 PolarHBondContact O-N 3.14Å; D18-R104 WeakPolarHBondContact OD2-CD 3.47Å; D18-R104 IonicContact OD2-NH1 3.59Å
19G92.2Very high82.1Confident28 Ų2889.5 Ų89.529%0.28948%0.481SS..  trans-74.1161.8178.400000113.5V17V17-G19 VanDerWaalsContact C-N 3.27Å; V17-G19 PolarHBondContact O-N 3.32Å
20K97.2Very high83.8Confident42 Ų4284.8 Ų84.818%0.18346%0.456CS..  trans-147.6136.7178.9175172.4176.51640111.8Y22 E26 T59 R104K20-Y22 HydrophobicContact CD-CD1 4.36Å; K20-Y22 HydrophobicContact CD-CD2 4.2Å; K20-Y22 HydrophobicContact CD-CE1 4.2Å; K20-Y22 HydrophobicContact CD-CE2 4.04Å; K20-Y22 HydrophobicContact CD-CG 4.37Å; K20-Y22 HydrophobicContact CG-CD2 4.19Å; K20-Y22 HydrophobicContact CG-CE2 4.35Å; K20-E26 IonicContact NZ-OE1 2.6Å; K20-E26 PolarHBondContact NZ-OE1 3.29Å; K20-E26 IonicContact NZ-OE2 2.7Å; K20-E26 PolarHBondContact NZ-OE2 2.87Å; K20-T59 PolarHBondContact N-OG1 3.34Å; K20-T59 WeakPolarHBondContact O-CG2 3.45Å; K20-T59 PolarHBondContact O-N 3.22Å; K20-T59 PolarHBondContact O-OG1 3.11Å; K20-R104 HydrophobicContact CB-CB 3.67Å
21I98.5Very high85.4Confident113 Ų11378.2 Ų78.258%0.57942%0.422SS*.BIsolated β-bridgetrans-88.8119.5159.9-53.6179.2000108.4F57 D58I21-F57 WeakPolarHBondContact CA-O 3.09Å; I21-D58 HydrophobicContact CG1-CB 3.94Å
22Y98.4Very high87Confident13 Ų1373.9 Ų73.95%0.05140%0.399CS..PPolyproline II helixtrans-83.2138.4178.8-87.1-89.2000112.7K20 E26 L27 F57 T59 I74 R104 I106K20-Y22 HydrophobicContact CD-CD1 4.36Å; K20-Y22 HydrophobicContact CD-CD2 4.2Å; K20-Y22 HydrophobicContact CD-CE1 4.2Å; K20-Y22 HydrophobicContact CD-CE2 4.04Å; K20-Y22 HydrophobicContact CD-CG 4.37Å; K20-Y22 HydrophobicContact CG-CD2 4.19Å; K20-Y22 HydrophobicContact CG-CE2 4.35Å; Y22-E26 HydrophobicContact CD1-CB 4.38Å; Y22-E26 HydrophobicContact CD1-CG 4.12Å; Y22-E26 HydrophobicContact CE1-CG 4.33Å; Y22-E26 WeakPolarHBondContact CE1-OE1 3.38Å; Y22-L27 HydrophobicContact CD1-CB 4.36Å; Y22-L27 HydrophobicContact CD1-CD1 4.43Å; Y22-L27 HydrophobicContact CD2-CD1 4.44Å; Y22-L27 HydrophobicContact CG-CB 4.36Å; Y22-L27 HydrophobicContact CG-CD1 4.2Å; Y22-F57 PolarHBondContact N-O 3.04Å; Y22-F57 WeakPolarHBondContact O-CB 3.33Å; Y22-F57 WeakPolarHBondContact O-CD2 3.45Å; Y22-T59 HydrophobicContact CD2-CG2 3.84Å; Y22-T59 HydrophobicContact CE2-CG2 3.71Å; Y22-I74 HydrophobicContact CD2-CD1 4.07Å; Y22-R104 PolarHBondContact OH-O 3.44Å; Y22-I106 HydrophobicContact CE2-CD1 4.41Å; Y22-I106 HydrophobicContact CE2-CG2 3.86Å
23E98.3Very high88.5Confident143 Ų14375.9 Ų75.967%0.66840%0.401SS*.PPolyproline II helixtrans-70.2142163.7-68-62.7156.400110.6C25 E26 L27E23-C25 PolarHBondContact O-N 3.09Å; E23-E26 HydrophobicContact CB-CB 4.11Å; E23-E26 WeakPolarHBondContact O-CA 3.4Å; E23-E26 WeakPolarHBondContact O-CB 3.38Å; E23-E26 PolarHBondContact O-N 3.48Å; E23-L27 PolarHBondContact O-N 3.21Å
24R97.9Very high90.4Very high75 Ų7568.2 Ų68.228%0.28337%0.367SS..Hα-helixtrans-49.1-53-174.7179.917858.386.8-2.4113.5E26 L27 A28 L48 F57 W141 K143 C145R24-E26 VanDerWaalsContact C-N 3.33Å; R24-E26 PolarHBondContact O-N 2.81Å; R24-L27 PolarHBondContact O-N 3.33Å; R24-A28 WeakPolarHBondContact O-CB 3.06Å; R24-A28 PolarHBondContact O-N 3.15Å; R24-L48 HydrophobicContact CG-CD1 4.32Å; R24-F57 HydrophobicContact CB-CE2 4.05Å; R24-F57 HydrophobicContact CG-CE2 4.46Å; R24-W141 WeakPolarHBondContact CD-O 3.37Å; R24-W141 HydrophobicContact CG-CE3 4.28Å; R24-W141 PolarHBondContact NH1-O 2.78Å; R24-K143 PolarHBondContact NH1-O 3.25Å; R24-K143 PolarHBondContact NH2-O 2.92Å; R24-C145 PolarHBondContact NH1-SG 3.18Å
25C97.8Very high92.2Very high34 Ų3466.6 Ų66.623%0.2336%0.357CS..Hα-helixtrans-73.6-25.5-178.1-65.60000113.2E23 K29 C145E23-C25 PolarHBondContact O-N 3.09Å; C25-K29 WeakPolarHBondContact O-CG 3.29Å; C25-K29 PolarHBondContact O-N 3.42Å; C25-C145 WeakPolarHBondContact CA-SG 3.36Å; C25-C145 HydrophobicContact CB-CB 3.76Å; C25-C145 WeakPolarHBondContact CB-SG 3.12Å; C25-C145 WeakPolarHBondContact SG-CA 3.43Å; C25-C145 WeakPolarHBondContact SG-CB 3.36Å; C25-C145 CovalentContact SG-SG 2.05Å; C25-C145 PolarHBondContact SG-SG 2.97Å
26E97.6Very high93.9Very high82 Ų8262.4 Ų62.438%0.38332%0.322SS..Hα-helixtrans-68.3-47.6172.9-168.7-164.8159.300110.2K20 Y22 E23 R24 A28 K29 K30K20-E26 IonicContact NZ-OE1 2.6Å; K20-E26 PolarHBondContact NZ-OE1 3.29Å; K20-E26 IonicContact NZ-OE2 2.7Å; K20-E26 PolarHBondContact NZ-OE2 2.87Å; Y22-E26 HydrophobicContact CD1-CB 4.38Å; Y22-E26 HydrophobicContact CD1-CG 4.12Å; Y22-E26 HydrophobicContact CE1-CG 4.33Å; Y22-E26 WeakPolarHBondContact CE1-OE1 3.38Å; E23-E26 HydrophobicContact CB-CB 4.11Å; E23-E26 WeakPolarHBondContact O-CA 3.4Å; E23-E26 WeakPolarHBondContact O-CB 3.38Å; E23-E26 PolarHBondContact O-N 3.48Å; R24-E26 VanDerWaalsContact C-N 3.33Å; R24-E26 PolarHBondContact O-N 2.81Å; E26-A28 VanDerWaalsContact C-N 3.32Å; E26-A28 PolarHBondContact O-N 3.41Å; E26-K29 PolarHBondContact O-N 3.43Å; E26-K30 PolarHBondContact O-N 3.4Å
27L98.3Very high95.4Very high0 Ų056.9 Ų56.90%029%0.293CS..Hα-helixtrans-58.9-46.4174.9-173.156.1000110.6Y22 E23 R24 K29 K30 L31 L48 A51 F57 I74 I106Y22-L27 HydrophobicContact CD1-CB 4.36Å; Y22-L27 HydrophobicContact CD1-CD1 4.43Å; Y22-L27 HydrophobicContact CD2-CD1 4.44Å; Y22-L27 HydrophobicContact CG-CB 4.36Å; Y22-L27 HydrophobicContact CG-CD1 4.2Å; E23-L27 PolarHBondContact O-N 3.21Å; R24-L27 PolarHBondContact O-N 3.33Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 2.98Å; L27-K30 WeakPolarHBondContact O-CA 2.88Å; L27-K30 WeakPolarHBondContact O-CB 3.27Å; L27-K30 PolarHBondContact O-N 2.87Å; L27-L31 HydrophobicContact CD1-CD1 4.2Å; L27-L31 HydrophobicContact CD1-CD2 4.04Å; L27-L31 HydrophobicContact CD1-CG 3.95Å; L27-L31 HydrophobicContact CD2-CD1 4.46Å; L27-L31 HydrophobicContact CG-CD1 3.83Å; L27-L31 HydrophobicContact CG-CG 4.04Å; L27-L31 VanDerWaalsContact O-CG 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.31Å; L27-L31 PolarHBondContact O-N 3.49Å; L27-L48 HydrophobicContact CB-CD2 3.89Å; L27-L48 HydrophobicContact CD2-CD2 3.77Å; L27-L48 HydrophobicContact CG-CD2 3.77Å; L27-A51 HydrophobicContact CD2-CB 4.29Å; L27-F57 HydrophobicContact CD2-CB 4.34Å; L27-F57 HydrophobicContact CD2-CD1 3.29Å; L27-F57 HydrophobicContact CD2-CE1 3.59Å; L27-F57 HydrophobicContact CD2-CG 3.91Å; L27-F57 HydrophobicContact CD2-CZ 4.42Å; L27-I74 HydrophobicContact CD1-CD1 3.81Å; L27-I74 HydrophobicContact CD2-CD1 3.86Å; L27-I106 HydrophobicContact CD1-CD1 3.44Å; L27-I106 VanDerWaalsContact CD1-CD1 3.44Å
28A97.9Very high96.4Very high0 Ų056.5 Ų56.50%029%0.288CS..Hα-helixtrans-52.6-47.9179.200000112.4R24 E26 L31 E32 I44 L48 L142 M147R24-A28 WeakPolarHBondContact O-CB 3.06Å; R24-A28 PolarHBondContact O-N 3.15Å; E26-A28 VanDerWaalsContact C-N 3.32Å; E26-A28 PolarHBondContact O-N 3.41Å; A28-L31 PolarHBondContact O-N 3.24Å; A28-E32 WeakPolarHBondContact O-CB 3.4Å; A28-E32 PolarHBondContact O-N 3.24Å; A28-I44 HydrophobicContact CB-CG2 3.95Å; A28-L48 HydrophobicContact CB-CD1 3.75Å; A28-L48 HydrophobicContact CB-CD2 4.3Å; A28-L48 HydrophobicContact CB-CG 4.48Å; A28-L142 HydrophobicContact CB-CD2 4.19Å; A28-M147 HydrophobicContact CB-CE 4.1Å; A28-M147 HydrophobicContact CB-SD 3.45Å; A28-M147 WeakPolarHBondContact CB-SD 3.4Å
29K96.6Very high96.8Very high96 Ų9655 Ų5542%0.41728%0.276SS..Hα-helixtrans-64.7-39.3176.6-72.1175.4177.1-171.90112.2C25 E26 L27 K33 D146 M147C25-K29 WeakPolarHBondContact O-CG 3.29Å; C25-K29 PolarHBondContact O-N 3.42Å; E26-K29 PolarHBondContact O-N 3.43Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 2.98Å; K29-K33 VanDerWaalsContact O-CB 3.27Å; K29-K33 WeakPolarHBondContact O-CB 3.38Å; K29-K33 PolarHBondContact O-N 2.9Å; K29-D146 WeakPolarHBondContact CE-O 3.49Å; K29-D146 PolarHBondContact NZ-O 3.29Å; K29-M147 HydrophobicContact CG-CG 4.42Å
30K97.3Very high97Very high59 Ų5959.6 Ų59.626%0.25729%0.288SS..Hα-helixtrans-64.4-47.3178.1-175.270.5174.5-1710111.1E26 L27 K33 A34 I106E26-K30 PolarHBondContact O-N 3.4Å; L27-K30 WeakPolarHBondContact O-CA 2.88Å; L27-K30 WeakPolarHBondContact O-CB 3.27Å; L27-K30 PolarHBondContact O-N 2.87Å; K30-K33 PolarHBondContact O-N 3.16Å; K30-A34 WeakPolarHBondContact O-CB 3.35Å; K30-A34 PolarHBondContact O-N 3.29Å; K30-I106 HydrophobicContact CG-CD1 3.84Å; K30-I106 HydrophobicContact CG-CG1 3.97Å
31L97.8Very high96.9Very high0 Ų059.3 Ų59.30%030%0.297CS..Hα-helixtrans-64.9-42.6178.3-60.4176.7000111.6L27 A28 A34 G35 L36 I44 W47 L48 F75 I106 I110L27-L31 HydrophobicContact CD1-CD1 4.2Å; L27-L31 HydrophobicContact CD1-CD2 4.04Å; L27-L31 HydrophobicContact CD1-CG 3.95Å; L27-L31 HydrophobicContact CD2-CD1 4.46Å; L27-L31 HydrophobicContact CG-CD1 3.83Å; L27-L31 HydrophobicContact CG-CG 4.04Å; L27-L31 VanDerWaalsContact O-CG 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.31Å; L27-L31 PolarHBondContact O-N 3.49Å; A28-L31 PolarHBondContact O-N 3.24Å; L31-A34 PolarHBondContact O-N 3.12Å; L31-G35 PolarHBondContact O-N 3Å; L31-L36 HydrophobicContact CB-CB 4.39Å; L31-L36 HydrophobicContact CB-CD1 4.16Å; L31-L36 HydrophobicContact CD2-CD1 3.64Å; L31-L36 HydrophobicContact CG-CD1 4.39Å; L31-L36 WeakPolarHBondContact O-CB 3.22Å; L31-L36 PolarHBondContact O-N 2.92Å; L31-I44 HydrophobicContact CB-CD1 3.92Å; L31-W47 HydrophobicContact CD1-CB 3.74Å; L31-L48 HydrophobicContact CD1-CD2 4.1Å; L31-L48 HydrophobicContact CD1-CG 4.41Å; L31-F75 HydrophobicContact CD2-CE1 4.48Å; L31-F75 HydrophobicContact CD2-CZ 3.77Å; L31-I106 HydrophobicContact CD2-CD1 4.09Å; L31-I110 HydrophobicContact CD2-CD1 3.88Å; L31-I110 HydrophobicContact CD2-CG1 4.12Å
32E96.1Very high96.8Very high45 Ų4555.8 Ų55.821%0.2128%0.277CS..Hα-helixtrans-60.1-49.5174.7-178.9175.9-140.300111.4A28 A34 G35 I44 M147 V149A28-E32 WeakPolarHBondContact O-CB 3.4Å; A28-E32 PolarHBondContact O-N 3.24Å; E32-A34 PolarHBondContact O-N 3.04Å; E32-G35 PolarHBondContact O-N 3.23Å; E32-I44 HydrophobicContact CB-CD1 4.11Å; E32-I44 HydrophobicContact CB-CG1 4.23Å; E32-M147 HydrophobicContact CB-CE 3.7Å; E32-M147 HydrophobicContact CG-CE 4.16Å; E32-M147 WeakPolarHBondContact OE2-CE 3.06Å; E32-V149 WeakPolarHBondContact OE1-CA 3.39Å; E32-V149 PolarHBondContact OE1-N 3.22Å
33K95.8Very high96.7Very high194 Ų19456.6 Ų56.684%0.84329%0.285SS*.Hα-helixtrans-61.8-30.4178.6-173.3176.3179.6-179.50112.5K29 K30 G35K29-K33 VanDerWaalsContact O-CB 3.27Å; K29-K33 WeakPolarHBondContact O-CB 3.38Å; K29-K33 PolarHBondContact O-N 2.9Å; K30-K33 PolarHBondContact O-N 3.16Å; K33-G35 PolarHBondContact O-N 3.15Å
34A96.8Very high96.7Very high21 Ų2149.9 Ų49.917%0.17425%0.253CS..THydrogen-bonded Turntrans-81.52.7175.400000113.6K30 L31 E32 L107 I110 K114K30-A34 WeakPolarHBondContact O-CB 3.35Å; K30-A34 PolarHBondContact O-N 3.29Å; L31-A34 PolarHBondContact O-N 3.12Å; E32-A34 PolarHBondContact O-N 3.04Å; A34-L107 HydrophobicContact CB-CD2 4.3Å; A34-I110 HydrophobicContact CB-CD1 3.59Å; A34-I110 HydrophobicContact CB-CG2 3.95Å; A34-K114 PolarHBondContact O-NZ 2.64Å
35G95.8Very high96.7Very high40 Ų4046.3 Ų46.341%0.41224%0.24SC..THydrogen-bonded Turntrans76.431.8174.100000113.7L31 E32 K33L31-G35 PolarHBondContact O-N 3Å; E32-G35 PolarHBondContact O-N 3.23Å; K33-G35 PolarHBondContact O-N 3.15Å
36L97Very high96.7Very high0 Ų045.4 Ų45.40%023%0.233CC..  trans-85.7-14.2173.2-74.7-178.7000113.7L31 N38 Y39 I44 W47 I110 K114L31-L36 HydrophobicContact CB-CB 4.39Å; L31-L36 HydrophobicContact CB-CD1 4.16Å; L31-L36 HydrophobicContact CD2-CD1 3.64Å; L31-L36 HydrophobicContact CG-CD1 4.39Å; L31-L36 WeakPolarHBondContact O-CB 3.22Å; L31-L36 PolarHBondContact O-N 2.92Å; L36-N38 PolarHBondContact O-N 3.45Å; L36-Y39 HydrophobicContact CD2-CD1 4.44Å; L36-Y39 HydrophobicContact CD2-CG 4.4Å; L36-Y39 WeakPolarHBondContact O-CB 3.45Å; L36-Y39 PolarHBondContact O-N 2.91Å; L36-Y39 VanDerWaalsContact O-N 3.12Å; L36-I44 HydrophobicContact CB-CD1 4.2Å; L36-W47 HydrophobicContact CB-CD2 4.45Å; L36-W47 HydrophobicContact CB-CG 4.33Å; L36-W47 HydrophobicContact CD1-CD2 4Å; L36-W47 HydrophobicContact CD1-CE3 4.25Å; L36-W47 HydrophobicContact CD1-CG 4.22Å; L36-W47 HydrophobicContact CD2-CD2 4.41Å; L36-W47 HydrophobicContact CD2-CH2 4.11Å; L36-W47 HydrophobicContact CD2-CZ2 3.74Å; L36-W47 PolarHBondContact O-NE1 3.08Å; L36-I110 HydrophobicContact CD1-CD1 4.49Å; L36-I110 HydrophobicContact CD1-CG1 4.05Å; L36-I110 HydrophobicContact CD1-CG2 3.9Å; L36-I110 HydrophobicContact CD2-CG2 4.12Å; L36-I110 HydrophobicContact CG-CG2 3.9Å; L36-K114 HydrophobicContact CD2-CD 4.28Å; L36-K114 VanDerWaalsContact CD2-CE 3.48Å; L36-K114 HydrophobicContact CD2-CG 3.76Å
37N94.8Very high96.7Very high42 Ų4241.5 Ų41.523%0.22522%0.215CC..THydrogen-bonded Turntrans-65.6120.9175.7-169.827.2000110.4Y39 I44N37-Y39 PolarHBondContact O-N 3.34Å; N37-I44 HydrophobicContact CB-CD1 3.83Å; N37-I44 HydrophobicContact CB-CG1 3.78Å
38N94.6Very high96.7Very high65 Ų6541.5 Ų41.535%0.34822%0.215SC..THydrogen-bonded Turntrans62.216.9-174.3-156.938.7000114.8L36 K40 G41 Y42 N152L36-N38 PolarHBondContact O-N 3.45Å; N38-K40 PolarHBondContact O-N 3.45Å; N38-K40 VanDerWaalsContact O-N 3.16Å; N38-G41 PolarHBondContact O-N 3.28Å; N38-Y42 CarbonylContact C-O 3.56Å; N38-Y42 WeakPolarHBondContact CA-O 3.36Å; N38-Y42 PolarHBondContact N-O 3.38Å; N38-N152 PolarHBondContact OD1-ND2 3.44Å
39Y96.4Very high96.7Very high62 Ų6241.6 Ų41.624%0.24322%0.215CC..BIsolated β-bridgetrans-66.8118173.8-174.2-96.9000109L36 N37 G41 Y42 W47 K114 V117 S118L36-Y39 HydrophobicContact CD2-CD1 4.44Å; L36-Y39 HydrophobicContact CD2-CG 4.4Å; L36-Y39 WeakPolarHBondContact O-CB 3.45Å; L36-Y39 PolarHBondContact O-N 2.91Å; L36-Y39 VanDerWaalsContact O-N 3.12Å; N37-Y39 PolarHBondContact O-N 3.34Å; Y39-G41 PolarHBondContact O-N 3.48Å; Y39-Y42 PolarHBondContact N-O 2.97Å; Y39-Y42 WeakPolarHBondContact O-CD2 3.46Å; Y39-Y42 PolarHBondContact O-N 3.31Å; Y39-Y42 VanDerWaalsContact O-N 3.09Å; Y39-W47 HydrophobicContact CD1-CZ2 4.22Å; Y39-K114 HydrophobicContact CD1-CG 3.94Å; Y39-K114 HydrophobicContact CD2-CD 4.35Å; Y39-K114 HydrophobicContact CD2-CG 4.38Å; Y39-K114 HydrophobicContact CE1-CB 3.72Å; Y39-K114 HydrophobicContact CE1-CD 4.42Å; Y39-K114 HydrophobicContact CE1-CG 3.57Å; Y39-K114 HydrophobicContact CE2-CB 4.47Å; Y39-K114 HydrophobicContact CE2-CD 4Å; Y39-K114 HydrophobicContact CE2-CG 4.05Å; Y39-K114 HydrophobicContact CG-CG 4.33Å; Y39-K114 PolarHBondContact OH-O 3Å; Y39-V117 HydrophobicContact CD1-CG2 3.74Å; Y39-V117 HydrophobicContact CE1-CG2 3.48Å; Y39-V117 VanDerWaalsContact CE1-CG2 3.48Å; Y39-S118 PolarHBondContact OH-OG 3.28Å; Y39-S118 VanDerWaalsContact OH-OG 3.13Å
40K96.4Very high96.8Very high126 Ų12637 Ų3755%0.54820%0.195SC..THydrogen-bonded Turntrans55.227.7-174.4-59.8-69.4-172.51720114N38 Y42 V117 S118N38-K40 PolarHBondContact O-N 3.45Å; N38-K40 VanDerWaalsContact O-N 3.16Å; K40-Y42 VanDerWaalsContact C-N 3.35Å; K40-Y42 HydrophobicContact CB-CD2 4.04Å; K40-Y42 HydrophobicContact CB-CE2 4.14Å; K40-V117 HydrophobicContact CG-CG2 4.25Å; K40-S118 VanDerWaalsContact CE-OG 3.23Å; K40-S118 WeakPolarHBondContact CE-OG 3.47Å
41G95Very high96.9Very high36 Ų3634.2 Ų34.237%0.37118%0.183SC..THydrogen-bonded Turntrans86.5-0.9-179.500000115N38 Y39N38-G41 PolarHBondContact O-N 3.28Å; Y39-G41 PolarHBondContact O-N 3.48Å
42Y96.6Very high96.9Very high39 Ų3937.9 Ų37.915%0.15320%0.2CC..BIsolated β-bridgetrans-90.1128.6178.3-58.4-66.5000111.4N38 Y39 K40 D46 W47 V117 M123 W129N38-Y42 CarbonylContact C-O 3.56Å; N38-Y42 WeakPolarHBondContact CA-O 3.36Å; N38-Y42 PolarHBondContact N-O 3.38Å; Y39-Y42 PolarHBondContact N-O 2.97Å; Y39-Y42 WeakPolarHBondContact O-CD2 3.46Å; Y39-Y42 PolarHBondContact O-N 3.31Å; Y39-Y42 VanDerWaalsContact O-N 3.09Å; K40-Y42 VanDerWaalsContact C-N 3.35Å; K40-Y42 HydrophobicContact CB-CD2 4.04Å; K40-Y42 HydrophobicContact CB-CE2 4.14Å; Y42-D46 HydrophobicContact CD1-CB 4.37Å; Y42-W47 HydrophobicContact CD2-CZ2 4.41Å; Y42-V117 HydrophobicContact CE2-CB 4.28Å; Y42-M123 HydrophobicContact CD1-CB 4.5Å; Y42-M123 HydrophobicContact CD1-CG 3.93Å; Y42-M123 HydrophobicContact CD1-SD 3.34Å; Y42-M123 WeakPolarHBondContact CD1-SD 3.39Å; Y42-M123 HydrophobicContact CD2-CG 3.91Å; Y42-M123 HydrophobicContact CD2-SD 4Å; Y42-M123 HydrophobicContact CE1-CB 3.89Å; Y42-M123 HydrophobicContact CE1-CG 3.74Å; Y42-M123 HydrophobicContact CE1-SD 3.72Å; Y42-M123 HydrophobicContact CE2-CB 4.35Å; Y42-M123 HydrophobicContact CE2-CG 3.72Å; Y42-M123 HydrophobicContact CE2-SD 4.33Å; Y42-M123 HydrophobicContact CG-CG 4.01Å; Y42-M123 HydrophobicContact CG-SD 3.49Å; Y42-M123 PolarHBondContact OH-N 2.89Å; Y42-W129 HydrophobicContact CE1-CH2 4.4Å; Y42-W129 AromaticContact CE1-CZ2 3.81Å; Y42-W129 HydrophobicContact CE1-CZ2 3.81Å
43S96.3Very high97Very high30 Ų3040.7 Ų40.721%0.2121%0.209CC..  trans-80.9167.9176.174.20000111.8G45 D46 W47S43-G45 PolarHBondContact O-N 2.03Å; S43-G45 PolarHBondContact OG-N 2.91Å; S43-D46 WeakPolarHBondContact CA-OD2 3.4Å; S43-D46 VanDerWaalsContact CB-OD2 3.27Å; S43-D46 WeakPolarHBondContact CB-OD2 3.34Å; S43-D46 PolarHBondContact N-OD2 3.43Å; S43-D46 WeakPolarHBondContact O-CB 3.02Å; S43-D46 PolarHBondContact O-N 2.97Å; S43-D46 VanDerWaalsContact O-N 3.08Å; S43-D46 PolarHBondContact OG-N 3.3Å; S43-D46 PolarHBondContact OG-OD2 3.04Å; S43-W47 PolarHBondContact O-N 3.3Å
44I97.3Very high97.2Very high1 Ų133 Ų331%0.00518%0.176CC..Hα-helixtrans-59.7-32.7172.9-59.6-59000112.3A28 L31 E32 L36 N37 D46 W47 L48 L142 M147A28-I44 HydrophobicContact CB-CG2 3.95Å; L31-I44 HydrophobicContact CB-CD1 3.92Å; E32-I44 HydrophobicContact CB-CD1 4.11Å; E32-I44 HydrophobicContact CB-CG1 4.23Å; L36-I44 HydrophobicContact CB-CD1 4.2Å; N37-I44 HydrophobicContact CB-CD1 3.83Å; N37-I44 HydrophobicContact CB-CG1 3.78Å; I44-D46 VanDerWaalsContact C-N 3.29Å; I44-D46 PolarHBondContact O-N 3.39Å; I44-W47 PolarHBondContact O-N 3.39Å; I44-L48 HydrophobicContact CG2-CD1 3.92Å; I44-L48 HydrophobicContact CG2-CG 4.1Å; I44-L48 VanDerWaalsContact O-CG 3.31Å; I44-L48 WeakPolarHBondContact O-CG 3.39Å; I44-L48 PolarHBondContact O-N 2.6Å; I44-L142 HydrophobicContact CB-CD2 4.24Å; I44-L142 HydrophobicContact CG2-CD2 3.87Å; I44-M147 HydrophobicContact CB-CE 4.49Å; I44-M147 HydrophobicContact CG1-CE 4.24Å; I44-M147 HydrophobicContact CG2-CE 4.17Å
45G97.5Very high97.2Very high1 Ų132.6 Ų32.61%0.0117%0.172CC..Hα-helixtrans-61.1-37.9174.800000112.6S43 L48 C49S43-G45 PolarHBondContact O-N 2.03Å; S43-G45 PolarHBondContact OG-N 2.91Å; G45-L48 PolarHBondContact O-N 3.45Å; G45-C49 WeakPolarHBondContact O-CB 3.43Å; G45-C49 PolarHBondContact O-N 3.32Å
46D98.2Very high97.4Very high15 Ų1532.3 Ų32.38%0.0817%0.17CC..Hα-helixtrans-62.9-46.2176.8-59.9-73.6000111.1Y42 S43 I44 C49 M50 M123 L138Y42-D46 HydrophobicContact CD1-CB 4.37Å; S43-D46 WeakPolarHBondContact CA-OD2 3.4Å; S43-D46 VanDerWaalsContact CB-OD2 3.27Å; S43-D46 WeakPolarHBondContact CB-OD2 3.34Å; S43-D46 PolarHBondContact N-OD2 3.43Å; S43-D46 WeakPolarHBondContact O-CB 3.02Å; S43-D46 PolarHBondContact O-N 2.97Å; S43-D46 VanDerWaalsContact O-N 3.08Å; S43-D46 PolarHBondContact OG-N 3.3Å; S43-D46 PolarHBondContact OG-OD2 3.04Å; I44-D46 VanDerWaalsContact C-N 3.29Å; I44-D46 PolarHBondContact O-N 3.39Å; D46-C49 PolarHBondContact O-N 3.37Å; D46-M50 PolarHBondContact O-N 3.36Å; D46-M123 HydrophobicContact CB-CE 4.47Å; D46-M123 HydrophobicContact CB-SD 3.97Å; D46-L138 HydrophobicContact CB-CD1 4.36Å; D46-L138 WeakPolarHBondContact OD1-CD1 3.33Å
47W98.3Very high97.5Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-66.6-39.2178.2-62106.4000113.2L31 L36 Y39 Y42 S43 I44 M50 A51 V113 V117 M123L31-W47 HydrophobicContact CD1-CB 3.74Å; L36-W47 HydrophobicContact CB-CD2 4.45Å; L36-W47 HydrophobicContact CB-CG 4.33Å; L36-W47 HydrophobicContact CD1-CD2 4Å; L36-W47 HydrophobicContact CD1-CE3 4.25Å; L36-W47 HydrophobicContact CD1-CG 4.22Å; L36-W47 HydrophobicContact CD2-CD2 4.41Å; L36-W47 HydrophobicContact CD2-CH2 4.11Å; L36-W47 HydrophobicContact CD2-CZ2 3.74Å; L36-W47 PolarHBondContact O-NE1 3.08Å; Y39-W47 HydrophobicContact CD1-CZ2 4.22Å; Y42-W47 HydrophobicContact CD2-CZ2 4.41Å; S43-W47 PolarHBondContact O-N 3.3Å; I44-W47 PolarHBondContact O-N 3.39Å; W47-M50 HydrophobicContact CE3-CE 3.92Å; W47-M50 HydrophobicContact CZ3-CE 4.15Å; W47-A51 WeakPolarHBondContact O-CB 3.38Å; W47-A51 PolarHBondContact O-N 3.25Å; W47-V113 HydrophobicContact CH2-CG2 4.39Å; W47-V113 HydrophobicContact CZ3-CB 4.12Å; W47-V113 HydrophobicContact CZ3-CG2 3.9Å; W47-V117 HydrophobicContact CH2-CB 4.3Å; W47-V117 HydrophobicContact CH2-CG1 3.57Å; W47-V117 HydrophobicContact CH2-CG2 3.81Å; W47-V117 HydrophobicContact CZ2-CG1 4.48Å; W47-V117 HydrophobicContact CZ2-CG2 4.31Å; W47-V117 HydrophobicContact CZ3-CG1 4.11Å; W47-M123 HydrophobicContact CD2-CE 3.76Å; W47-M123 HydrophobicContact CE3-CE 3.46Å; W47-M123 VanDerWaalsContact CE3-CE 3.46Å; W47-M123 HydrophobicContact CG-CE 4.37Å; W47-M123 HydrophobicContact CH2-CE 4.32Å; W47-M123 HydrophobicContact CZ3-CE 3.77Å
48L98.4Very high97.6Very high0 Ų032.7 Ų32.70%017%0.171CC..Hα-helixtrans-66.9-43.3175.7-72173.1000111.6R24 L27 A28 L31 I44 G45 H52 F57 W141 L142R24-L48 HydrophobicContact CG-CD1 4.32Å; L27-L48 HydrophobicContact CB-CD2 3.89Å; L27-L48 HydrophobicContact CD2-CD2 3.77Å; L27-L48 HydrophobicContact CG-CD2 3.77Å; A28-L48 HydrophobicContact CB-CD1 3.75Å; A28-L48 HydrophobicContact CB-CD2 4.3Å; A28-L48 HydrophobicContact CB-CG 4.48Å; L31-L48 HydrophobicContact CD1-CD2 4.1Å; L31-L48 HydrophobicContact CD1-CG 4.41Å; I44-L48 HydrophobicContact CG2-CD1 3.92Å; I44-L48 HydrophobicContact CG2-CG 4.1Å; I44-L48 VanDerWaalsContact O-CG 3.31Å; I44-L48 WeakPolarHBondContact O-CG 3.39Å; I44-L48 PolarHBondContact O-N 2.6Å; G45-L48 PolarHBondContact O-N 3.45Å; L48-H52 WeakPolarHBondContact O-CB 3.33Å; L48-H52 PolarHBondContact O-N 3.41Å; L48-F57 HydrophobicContact CD2-CE1 4.32Å; L48-F57 HydrophobicContact CD2-CZ 4.31Å; L48-F57 WeakPolarHBondContact O-CE1 3.39Å; L48-W141 HydrophobicContact CB-CB 4.21Å; L48-W141 HydrophobicContact CB-CD2 4.18Å; L48-W141 HydrophobicContact CB-CE3 3.92Å; L48-W141 HydrophobicContact CB-CG 4.32Å; L48-W141 HydrophobicContact CD1-CB 4.09Å; L48-W141 WeakPolarHBondContact CD1-O 3.46Å; L48-L142 HydrophobicContact CD1-CD2 3.84Å
49C98.6Very high97.8Very high1 Ų129.6 Ų29.61%0.00716%0.155CC..Hα-helixtrans-60.6-49.6177.3-174.70000111G45 D46 H52 Y53 C133 L138 W141G45-C49 WeakPolarHBondContact O-CB 3.43Å; G45-C49 PolarHBondContact O-N 3.32Å; D46-C49 PolarHBondContact O-N 3.37Å; C49-H52 PolarHBondContact O-N 3.19Å; C49-Y53 WeakPolarHBondContact O-CD2 2.99Å; C49-Y53 PolarHBondContact O-N 3.2Å; C49-Y53 VanDerWaalsContact O-N 3.15Å; C49-C133 HydrophobicContact CB-CB 3.78Å; C49-C133 WeakPolarHBondContact CB-SG 3.37Å; C49-C133 WeakPolarHBondContact SG-CA 3.12Å; C49-C133 WeakPolarHBondContact SG-CB 3.25Å; C49-C133 CovalentContact SG-SG 2.03Å; C49-C133 PolarHBondContact SG-SG 2.8Å; C49-L138 HydrophobicContact CB-CD1 4.08Å; C49-L138 HydrophobicContact CB-CD2 4.03Å; C49-W141 HydrophobicContact CB-CD2 4.4Å; C49-W141 HydrophobicContact CB-CZ2 4.14Å
50M98.3Very high97.9Very high0 Ų029.2 Ų29.20%016%0.161CC..Hα-helixtrans-58.7-54.1178.6-179.3-87.3-74.700111.3D46 W47 H52 Y53 E54 F75 M123 W126 W129D46-M50 PolarHBondContact O-N 3.36Å; W47-M50 HydrophobicContact CE3-CE 3.92Å; W47-M50 HydrophobicContact CZ3-CE 4.15Å; M50-H52 PolarHBondContact O-N 3.43Å; M50-H52 VanDerWaalsContact O-N 3.16Å; M50-Y53 PolarHBondContact O-N 3.31Å; M50-Y53 VanDerWaalsContact O-N 3.12Å; M50-E54 HydrophobicContact CG-CG 4.07Å; M50-E54 WeakPolarHBondContact O-CB 3.43Å; M50-E54 VanDerWaalsContact O-CG 3.29Å; M50-E54 WeakPolarHBondContact O-CG 3.38Å; M50-E54 PolarHBondContact O-N 2.89Å; M50-E54 HydrophobicContact SD-CB 4.43Å; M50-E54 HydrophobicContact SD-CG 3.71Å; M50-F75 HydrophobicContact CE-CB 4.23Å; M50-F75 HydrophobicContact CE-CD1 3.42Å; M50-F75 VanDerWaalsContact CE-CD1 3.42Å; M50-F75 HydrophobicContact CE-CE1 4.07Å; M50-F75 HydrophobicContact CE-CG 4.11Å; M50-F75 HydrophobicContact SD-CB 4.38Å; M50-F75 HydrophobicContact SD-CD1 3.92Å; M50-M123 HydrophobicContact CB-CE 3.9Å; M50-M123 HydrophobicContact CE-CE 3.99Å; M50-M123 HydrophobicContact CG-CE 4.3Å; M50-W126 HydrophobicContact CE-CZ2 4.32Å; M50-W126 HydrophobicContact CG-CB 4.35Å; M50-W126 HydrophobicContact CG-CD2 4.43Å; M50-W126 HydrophobicContact CG-CG 4.18Å; M50-W126 HydrophobicContact SD-CD2 4.4Å; M50-W126 HydrophobicContact SD-CG 4.37Å; M50-W129 HydrophobicContact CB-CB 4.38Å; M50-W129 HydrophobicContact CG-CB 4.18Å
51A98.6Very high98Very high0 Ų026.9 Ų26.90%015%0.151CC..Hα-helixtrans-60-31.6-178.900000113.2L27 W47 S55 G56 F57 I74 F75L27-A51 HydrophobicContact CD2-CB 4.29Å; W47-A51 WeakPolarHBondContact O-CB 3.38Å; W47-A51 PolarHBondContact O-N 3.25Å; A51-S55 PolarHBondContact O-N 2.7Å; A51-S55 PolarHBondContact O-OG 3.24Å; A51-G56 PolarHBondContact O-N 3.15Å; A51-F57 HydrophobicContact CB-CD1 3.87Å; A51-F57 HydrophobicContact CB-CE1 3.95Å; A51-F57 PolarHBondContact O-N 3.36Å; A51-I74 HydrophobicContact CB-CG1 4.29Å; A51-F75 HydrophobicContact CB-CD1 3.97Å; A51-F75 HydrophobicContact CB-CE1 3.89Å
52H98.6Very high98.1Very high77 Ų7727.3 Ų27.336%0.35615%0.146SC..Hα-helixtrans-66.7-48.5175.6178.875.3000112.2L48 C49 M50 E54 G56 F57 W141L48-H52 WeakPolarHBondContact O-CB 3.33Å; L48-H52 PolarHBondContact O-N 3.41Å; C49-H52 PolarHBondContact O-N 3.19Å; M50-H52 PolarHBondContact O-N 3.43Å; M50-H52 VanDerWaalsContact O-N 3.16Å; H52-E54 VanDerWaalsContact C-N 3.31Å; H52-G56 VanDerWaalsContact O-CA 3.27Å; H52-G56 WeakPolarHBondContact O-CA 3.44Å; H52-G56 PolarHBondContact O-N 3.42Å; H52-F57 HydrophobicContact CB-CD1 4.41Å; H52-F57 HydrophobicContact CB-CE1 3.7Å; H52-F57 HydrophobicContact CB-CE2 4.43Å; H52-F57 HydrophobicContact CB-CZ 3.71Å; H52-W141 HydrophobicContact CB-CH2 3.41Å; H52-W141 VanDerWaalsContact CB-CH2 3.41Å; H52-W141 HydrophobicContact CB-CZ2 4.22Å; H52-W141 HydrophobicContact CB-CZ3 3.83Å; H52-W141 AromaticContact CD2-CH2 3.56Å; H52-W141 AromaticContact CG-CH2 3.37Å; H52-W141 AromaticContact CG-CZ3 3.99Å
53Y98.4Very high98.2Very high105 Ų10529.2 Ų29.241%0.41216%0.159SC..Hα-helixtrans-75.1-23-178-79.7-76.9000113.2C49 M50 H132 W141C49-Y53 WeakPolarHBondContact O-CD2 2.99Å; C49-Y53 PolarHBondContact O-N 3.2Å; C49-Y53 VanDerWaalsContact O-N 3.15Å; M50-Y53 PolarHBondContact O-N 3.31Å; M50-Y53 VanDerWaalsContact O-N 3.12Å; Y53-H132 HydrophobicContact CD1-CB 3.92Å; Y53-H132 AromaticContact CD1-CD2 3.55Å; Y53-H132 AromaticContact CD1-CG 3.58Å; Y53-H132 HydrophobicContact CD2-CB 3.5Å; Y53-H132 HydrophobicContact CE1-CB 3.81Å; Y53-H132 AromaticContact CE1-CD2 3.92Å; Y53-H132 AromaticContact CE1-CG 3.51Å; Y53-H132 AromaticContact CE1-ND1 3.61Å; Y53-H132 HydrophobicContact CE2-CB 3.4Å; Y53-H132 VanDerWaalsContact CE2-CB 3.4Å; Y53-H132 HydrophobicContact CG-CB 3.76Å; Y53-H132 AromaticContact CG-CD2 3.88Å; Y53-H132 AromaticContact CG-CG 3.88Å; Y53-H132 AromaticContact CZ-CG 3.77Å; Y53-H132 AromaticContact CZ-ND1 3.95Å; Y53-W141 HydrophobicContact CE2-CZ2 4.44Å
54E98.4Very high98.3Very high31 Ų3134 Ų3415%0.14518%0.178CC..Hα-helixtrans-80.2-45.8175.8-71-57.2153.900112.7M50 H52 Q76 S128M50-E54 HydrophobicContact CG-CG 4.07Å; M50-E54 WeakPolarHBondContact O-CB 3.43Å; M50-E54 VanDerWaalsContact O-CG 3.29Å; M50-E54 WeakPolarHBondContact O-CG 3.38Å; M50-E54 PolarHBondContact O-N 2.89Å; M50-E54 HydrophobicContact SD-CB 4.43Å; M50-E54 HydrophobicContact SD-CG 3.71Å; H52-E54 VanDerWaalsContact C-N 3.31Å; E54-Q76 HydrophobicContact CB-CB 4.07Å; E54-Q76 HydrophobicContact CB-CG 3.68Å; E54-Q76 HydrophobicContact CG-CB 4.39Å; E54-Q76 HydrophobicContact CG-CG 4.49Å; E54-Q76 WeakPolarHBondContact O-CG 3.48Å; E54-Q76 WeakPolarHBondContact OE2-CB 3.5Å; E54-S128 WeakPolarHBondContact OE1-CB 3.27Å; E54-S128 PolarHBondContact OE1-OG 2.66Å
55S98.7Very high98.3Very high13 Ų1336 Ų369%0.09119%0.189CC..Hα-helixtrans-137.1-2.5-170.365.10000115.1A51 F57 D58 I74A51-S55 PolarHBondContact O-N 2.7Å; A51-S55 PolarHBondContact O-OG 3.24Å; S55-F57 PolarHBondContact O-N 2.6Å; S55-F57 PolarHBondContact OG-N 2.97Å; S55-D58 WeakPolarHBondContact O-CB 3.44Å; S55-D58 PolarHBondContact O-N 2.8Å; S55-D58 VanDerWaalsContact O-N 3.15Å; S55-I74 WeakPolarHBondContact OG-CA 3.28Å; S55-I74 PolarHBondContact OG-O 2.97Å
56G98.6Very high98.2Very high35 Ų3542.8 Ų42.836%0.36123%0.232SC..THydrogen-bonded Turntrans61.724.9-169.200000113.3A51 H52 D58A51-G56 PolarHBondContact O-N 3.15Å; H52-G56 VanDerWaalsContact O-CA 3.27Å; H52-G56 WeakPolarHBondContact O-CA 3.44Å; H52-G56 PolarHBondContact O-N 3.42Å; G56-D58 VanDerWaalsContact C-N 3.31Å
57F98.7Very high98Very high15 Ų1547.9 Ų47.97%0.06626%0.259CS..THydrogen-bonded Turntrans70.614.7-173.7-48.4-42.8000116.1I21 Y22 R24 L27 L48 A51 H52 S55 W141I21-F57 WeakPolarHBondContact CA-O 3.09Å; Y22-F57 PolarHBondContact N-O 3.04Å; Y22-F57 WeakPolarHBondContact O-CB 3.33Å; Y22-F57 WeakPolarHBondContact O-CD2 3.45Å; R24-F57 HydrophobicContact CB-CE2 4.05Å; R24-F57 HydrophobicContact CG-CE2 4.46Å; L27-F57 HydrophobicContact CD2-CB 4.34Å; L27-F57 HydrophobicContact CD2-CD1 3.29Å; L27-F57 HydrophobicContact CD2-CE1 3.59Å; L27-F57 HydrophobicContact CD2-CG 3.91Å; L27-F57 HydrophobicContact CD2-CZ 4.42Å; L48-F57 HydrophobicContact CD2-CE1 4.32Å; L48-F57 HydrophobicContact CD2-CZ 4.31Å; L48-F57 WeakPolarHBondContact O-CE1 3.39Å; A51-F57 HydrophobicContact CB-CD1 3.87Å; A51-F57 HydrophobicContact CB-CE1 3.95Å; A51-F57 PolarHBondContact O-N 3.36Å; H52-F57 HydrophobicContact CB-CD1 4.41Å; H52-F57 HydrophobicContact CB-CE1 3.7Å; H52-F57 HydrophobicContact CB-CE2 4.43Å; H52-F57 HydrophobicContact CB-CZ 3.71Å; S55-F57 PolarHBondContact O-N 2.6Å; S55-F57 PolarHBondContact OG-N 2.97Å; F57-W141 HydrophobicContact CE2-CZ3 4.33Å; F57-W141 HydrophobicContact CZ-CE3 4.3Å; F57-W141 AromaticContact CZ-CZ3 3.73Å; F57-W141 HydrophobicContact CZ-CZ3 3.73Å
58D98.7Very high97.9Very high35 Ų3549.9 Ų49.919%0.18728%0.28CS..BIsolated β-bridgetrans-84.5115.1176-173.5-7.3000111I21 S55 G56 S60 F61I21-D58 HydrophobicContact CG1-CB 3.94Å; S55-D58 WeakPolarHBondContact O-CB 3.44Å; S55-D58 PolarHBondContact O-N 2.8Å; S55-D58 VanDerWaalsContact O-N 3.15Å; G56-D58 VanDerWaalsContact C-N 3.31Å; D58-S60 PolarHBondContact O-N 2.98Å; D58-S60 WeakPolarHBondContact OD1-CA 3.49Å; D58-S60 PolarHBondContact OD1-N 3.46Å; D58-S60 PolarHBondContact OD1-OG 2.75Å; D58-F61 HydrophobicContact CB-CB 4.09Å; D58-F61 PolarHBondContact O-N 3.43Å
59T98.6Very high97.9Very high0 Ų049.9 Ų49.90%028%0.28CS..THydrogen-bonded Turntrans-70.4-17.5176.969.30000113K20 Y22 G73 I74 L102 N103 I106K20-T59 PolarHBondContact N-OG1 3.34Å; K20-T59 WeakPolarHBondContact O-CG2 3.45Å; K20-T59 PolarHBondContact O-N 3.22Å; K20-T59 PolarHBondContact O-OG1 3.11Å; Y22-T59 HydrophobicContact CD2-CG2 3.84Å; Y22-T59 HydrophobicContact CE2-CG2 3.71Å; T59-G73 WeakPolarHBondContact O-CA 3.33Å; T59-I74 HydrophobicContact CG2-CB 4.24Å; T59-I74 HydrophobicContact CG2-CD1 4.28Å; T59-L102 CarbonylContact O-C 3.5Å; T59-L102 VanDerWaalsContact O-CA 3.26Å; T59-L102 WeakPolarHBondContact O-CA 3.38Å; T59-N103 WeakPolarHBondContact CB-O 3.4Å; T59-N103 PolarHBondContact OG1-O 3.06Å; T59-I106 HydrophobicContact CG2-CG2 3.48Å; T59-I106 VanDerWaalsContact CG2-CG2 3.48Å
60S97.5Very high97.9Very high53 Ų5350.2 Ų50.237%0.37128%0.282SS..THydrogen-bonded Turntrans-97.16.5179.759.30000113.7D58 V62D58-S60 PolarHBondContact O-N 2.98Å; D58-S60 WeakPolarHBondContact OD1-CA 3.49Å; D58-S60 PolarHBondContact OD1-N 3.46Å; D58-S60 PolarHBondContact OD1-OG 2.75Å; S60-V62 PolarHBondContact O-N 3.01Å
61F98.3Very high97.9Very high78 Ų7851.9 Ų51.934%0.34229%0.29SS..  trans-70.4131.1-178.3-168.9-115.5000111.5D58 D63 G73 Q76D58-F61 HydrophobicContact CB-CB 4.09Å; D58-F61 PolarHBondContact O-N 3.43Å; F61-D63 HydrophobicContact CE1-CB 4.24Å; F61-D63 HydrophobicContact CZ-CB 4.5Å; F61-G73 PolarHBondContact O-N 3.27Å; F61-Q76 VanDerWaalsContact CD1-CD 3.44Å; F61-Q76 HydrophobicContact CD1-CG 4.32Å; F61-Q76 VanDerWaalsContact CD1-NE2 3.34Å; F61-Q76 PolarHBondContact O-NE2 3.48Å
62V98.3Very high97.9Very high44 Ų4452.7 Ų52.727%0.26729%0.293SS..EExtended strand (participates in β ladder)trans-132126.9176179.90000108.5S60 E71 Y72 L102S60-V62 PolarHBondContact O-N 3.01Å; V62-E71 VanDerWaalsContact CA-O 3.3Å; V62-E71 WeakPolarHBondContact CA-O 3.33Å; V62-Y72 HydrophobicContact CG1-CE1 4.28Å; V62-Y72 HydrophobicContact CG2-CD1 4.1Å; V62-Y72 HydrophobicContact CG2-CE1 4.34Å; V62-L102 HydrophobicContact CG2-CD1 3.9Å; V62-L102 HydrophobicContact CG2-CD2 3.65Å; V62-L102 HydrophobicContact CG2-CG 4.45Å
63D98Very high97.9Very high79 Ų7949 Ų4942%0.42228%0.276SS..EExtended strand (participates in β ladder)trans-114145.9170.8-165.318000110.8F61 S70 E71F61-D63 HydrophobicContact CE1-CB 4.24Å; F61-D63 HydrophobicContact CZ-CB 4.5Å; D63-S70 CarbonylContact O-C 3.47Å; D63-S70 WeakPolarHBondContact O-CA 3.28Å; D63-S70 WeakPolarHBondContact O-CB 3.13Å; D63-E71 HydrophobicContact CB-CB 4.31Å; D63-E71 PolarHBondContact N-O 3.13Å; D63-E71 VanDerWaalsContact N-O 3.12Å; D63-E71 PolarHBondContact O-N 2.85Å
64H98Very high97.9Very high131 Ų13144 Ų4461%0.60626%0.257SS*.EExtended strand (participates in β ladder)trans-113.9120-173.6-64.5-60.3000111.1S70H64-S70 PolarHBondContact ND1-OG 3.27Å
65N97.3Very high97.9Very high44 Ų4442.6 Ų42.624%0.23525%0.25CC..  trans-85.7149.5-178.2-67.7-41.9000111.8D67 G68 S69 E71 N78N65-D67 WeakPolarHBondContact CB-OD1 3.36Å; N65-D67 PolarHBondContact O-N 2.97Å; N65-D67 VanDerWaalsContact O-N 3.14Å; N65-G68 PolarHBondContact O-N 2.95Å; N65-S69 WeakPolarHBondContact CB-O 3.27Å; N65-S69 WeakPolarHBondContact CB-OG 3.38Å; N65-S69 PolarHBondContact N-O 3.26Å; N65-S69 PolarHBondContact ND2-OG 3.48Å; N65-E71 PolarHBondContact ND2-OE1 2.7Å; N65-N78 PolarHBondContact ND2-ND2 2.84Å
66P96.2Very high97.9Very high143 Ų14342.3 Ų42.393%0.92925%0.247SC*.THydrogen-bonded Turntrans-61.2-21.5177.4-25.134.8000115G68P66-G68 PolarHBondContact O-N 2.94Å
67D94.4Very high97.9Very high122 Ų12240.7 Ų40.765%0.65223%0.23SC*.THydrogen-bonded Turntrans-80.8-0.1177.470.8-6.8000113.5N65 S69N65-D67 WeakPolarHBondContact CB-OD1 3.36Å; N65-D67 PolarHBondContact O-N 2.97Å; N65-D67 VanDerWaalsContact O-N 3.14Å; D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 VanDerWaalsContact OD1-CB 3.31Å; D67-S69 WeakPolarHBondContact OD1-CB 3.29Å; D67-S69 PolarHBondContact OD1-N 2.95Å; D67-S69 PolarHBondContact OD1-OG 3.36Å; D67-S69 PolarHBondContact OD2-OG 3.31Å
68G95.5Very high97.9Very high41 Ų4140.9 Ų40.942%0.42323%0.232SC..SBendtrans84.90.6-17900000114.3N65 P66 T88N65-G68 PolarHBondContact O-N 2.95Å; P66-G68 PolarHBondContact O-N 2.94Å; G68-T88 PolarHBondContact O-OG1 3.01Å
69S98.2Very high97.9Very high0 Ų039.2 Ų39.20%022%0.223CC..  trans-76168.1163.671.70000110.9N65 D67 N78 S79N65-S69 WeakPolarHBondContact CB-O 3.27Å; N65-S69 WeakPolarHBondContact CB-OG 3.38Å; N65-S69 PolarHBondContact N-O 3.26Å; N65-S69 PolarHBondContact ND2-OG 3.48Å; D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 VanDerWaalsContact OD1-CB 3.31Å; D67-S69 WeakPolarHBondContact OD1-CB 3.29Å; D67-S69 PolarHBondContact OD1-N 2.95Å; D67-S69 PolarHBondContact OD1-OG 3.36Å; D67-S69 PolarHBondContact OD2-OG 3.31Å; S69-N78 PolarHBondContact OG-ND2 3.42Å; S69-S79 WeakPolarHBondContact CA-OG 3.03Å
70S98.6Very high97.9Very high9 Ų940.2 Ų40.26%0.06323%0.231CC..EExtended strand (participates in β ladder)trans-144.4153.2173.3-54.70000109.7D63 H64 Y72 N78 S79D63-S70 CarbonylContact O-C 3.47Å; D63-S70 WeakPolarHBondContact O-CA 3.28Å; D63-S70 WeakPolarHBondContact O-CB 3.13Å; H64-S70 PolarHBondContact ND1-OG 3.27Å; S70-Y72 VanDerWaalsContact CB-CE2 3.48Å; S70-Y72 WeakPolarHBondContact O-CD2 3.38Å; S70-Y72 VanDerWaalsContact O-CE2 3.29Å; S70-Y72 WeakPolarHBondContact O-CE2 3.4Å; S70-N78 CarbonylContact O-C 3.54Å; S70-N78 WeakPolarHBondContact O-CA 3.13Å; S70-S79 PolarHBondContact N-OG 3.1Å; S70-S79 PolarHBondContact O-N 3.21Å; S70-S79 PolarHBondContact O-OG 3.26Å
71E98.5Very high97.9Very high35 Ų3544.4 Ų44.416%0.16424%0.239CC..EExtended strand (participates in β ladder)trans-99.8133178.5-56.2-57159.800109.6V62 D63 N65 Q76 N78V62-E71 VanDerWaalsContact CA-O 3.3Å; V62-E71 WeakPolarHBondContact CA-O 3.33Å; D63-E71 HydrophobicContact CB-CB 4.31Å; D63-E71 PolarHBondContact N-O 3.13Å; D63-E71 VanDerWaalsContact N-O 3.12Å; D63-E71 PolarHBondContact O-N 2.85Å; N65-E71 PolarHBondContact ND2-OE1 2.7Å; E71-Q76 HydrophobicContact CB-CB 3.86Å; E71-Q76 HydrophobicContact CB-CG 4.29Å; E71-Q76 HydrophobicContact CG-CB 4.48Å; E71-Q76 VanDerWaalsContact OE2-O 3.05Å; E71-N78 PolarHBondContact OE1-ND2 3.4Å; E71-N78 WeakPolarHBondContact OE2-CA 3.4Å; E71-N78 WeakPolarHBondContact OE2-CB 3.45Å; E71-N78 PolarHBondContact OE2-N 2.83Å
72Y98.7Very high97.9Very high17 Ų1742.5 Ų42.57%0.06723%0.23CC..EExtended strand (participates in β ladder)trans-120.9136.8-172.4-67.4-101.7000112.8V62 S70 Q76 L77 N85 C98 L102V62-Y72 HydrophobicContact CG1-CE1 4.28Å; V62-Y72 HydrophobicContact CG2-CD1 4.1Å; V62-Y72 HydrophobicContact CG2-CE1 4.34Å; S70-Y72 VanDerWaalsContact CB-CE2 3.48Å; S70-Y72 WeakPolarHBondContact O-CD2 3.38Å; S70-Y72 VanDerWaalsContact O-CE2 3.29Å; S70-Y72 WeakPolarHBondContact O-CE2 3.4Å; Y72-Q76 WeakPolarHBondContact O-CA 3.34Å; Y72-Q76 PolarHBondContact O-N 3.18Å; Y72-L77 PolarHBondContact N-O 3.19Å; Y72-L77 VanDerWaalsContact N-O 3.13Å; Y72-L77 PolarHBondContact O-N 3.06Å; Y72-N85 PolarHBondContact OH-ND2 2.92Å; Y72-C98 HydrophobicContact CD1-CB 3.65Å; Y72-C98 HydrophobicContact CD2-CB 3.81Å; Y72-C98 HydrophobicContact CE1-CB 3.72Å; Y72-C98 HydrophobicContact CE2-CB 3.89Å; Y72-C98 HydrophobicContact CG-CB 3.72Å; Y72-L102 HydrophobicContact CD1-CD1 4.08Å; Y72-L102 HydrophobicContact CD1-CD2 4Å; Y72-L102 HydrophobicContact CD1-CG 4.18Å; Y72-L102 HydrophobicContact CE1-CD1 4.48Å
73G98.4Very high97.9Very high0 Ų040.4 Ų40.40%022%0.217CC..THydrogen-bonded Turntrans74.7-167.8163.600000114.2T59 F61 F75 Q76T59-G73 WeakPolarHBondContact O-CA 3.33Å; F61-G73 PolarHBondContact O-N 3.27Å; G73-F75 PolarHBondContact O-N 3.07Å; G73-F75 VanDerWaalsContact O-N 3.07Å; G73-Q76 PolarHBondContact O-N 2.7Å; G73-Q76 PolarHBondContact O-NE2 2.89Å
74I98.8Very high97.9Very high0 Ų039.6 Ų39.60%021%0.212CC..THydrogen-bonded Turntrans-62.7-24.6-168.6-164.6170.8000113.6Y22 L27 A51 S55 T59 I106 D109Y22-I74 HydrophobicContact CD2-CD1 4.07Å; L27-I74 HydrophobicContact CD1-CD1 3.81Å; L27-I74 HydrophobicContact CD2-CD1 3.86Å; A51-I74 HydrophobicContact CB-CG1 4.29Å; S55-I74 WeakPolarHBondContact OG-CA 3.28Å; S55-I74 PolarHBondContact OG-O 2.97Å; T59-I74 HydrophobicContact CG2-CB 4.24Å; T59-I74 HydrophobicContact CG2-CD1 4.28Å; I74-I106 HydrophobicContact CD1-CG2 4.5Å; I74-I106 HydrophobicContact CG2-CG2 3.99Å; I74-D109 HydrophobicContact CG2-CB 4.46Å
75F98.6Very high97.9Very high0 Ų034.5 Ų34.50%019%0.19CC..THydrogen-bonded Turntrans-111.910.1179.6-54.9-58.9000113.6L31 M50 A51 G73 D109 I110 V113 W126L31-F75 HydrophobicContact CD2-CE1 4.48Å; L31-F75 HydrophobicContact CD2-CZ 3.77Å; M50-F75 HydrophobicContact CE-CB 4.23Å; M50-F75 HydrophobicContact CE-CD1 3.42Å; M50-F75 VanDerWaalsContact CE-CD1 3.42Å; M50-F75 HydrophobicContact CE-CE1 4.07Å; M50-F75 HydrophobicContact CE-CG 4.11Å; M50-F75 HydrophobicContact SD-CB 4.38Å; M50-F75 HydrophobicContact SD-CD1 3.92Å; A51-F75 HydrophobicContact CB-CD1 3.97Å; A51-F75 HydrophobicContact CB-CE1 3.89Å; G73-F75 PolarHBondContact O-N 3.07Å; G73-F75 VanDerWaalsContact O-N 3.07Å; F75-D109 HydrophobicContact CD2-CB 3.77Å; F75-D109 HydrophobicContact CE2-CB 3.86Å; F75-I110 HydrophobicContact CE2-CG1 4.01Å; F75-I110 HydrophobicContact CZ-CG1 4.3Å; F75-V113 HydrophobicContact CB-CG1 3.55Å; F75-V113 HydrophobicContact CD1-CG1 4.47Å; F75-V113 HydrophobicContact CD2-CB 4.4Å; F75-V113 HydrophobicContact CD2-CG1 3.35Å; F75-V113 HydrophobicContact CD2-CG2 4.2Å; F75-V113 HydrophobicContact CE2-CG1 4.13Å; F75-V113 HydrophobicContact CE2-CG2 4.14Å; F75-V113 HydrophobicContact CG-CG1 3.56Å; F75-W126 PolarHBondContact O-NE1 3.16Å
76Q98.6Very high97.9Very high8 Ų835.8 Ų35.84%0.03721%0.213CC..THydrogen-bonded Turntrans49.366.6175.7-67.8-62.2-87.700112.3E54 F61 E71 Y72 G73E54-Q76 HydrophobicContact CB-CB 4.07Å; E54-Q76 HydrophobicContact CB-CG 3.68Å; E54-Q76 HydrophobicContact CG-CB 4.39Å; E54-Q76 HydrophobicContact CG-CG 4.49Å; E54-Q76 WeakPolarHBondContact O-CG 3.48Å; E54-Q76 WeakPolarHBondContact OE2-CB 3.5Å; F61-Q76 VanDerWaalsContact CD1-CD 3.44Å; F61-Q76 HydrophobicContact CD1-CG 4.32Å; F61-Q76 VanDerWaalsContact CD1-NE2 3.34Å; F61-Q76 PolarHBondContact O-NE2 3.48Å; E71-Q76 HydrophobicContact CB-CB 3.86Å; E71-Q76 HydrophobicContact CB-CG 4.29Å; E71-Q76 HydrophobicContact CG-CB 4.48Å; E71-Q76 VanDerWaalsContact OE2-O 3.05Å; Y72-Q76 WeakPolarHBondContact O-CA 3.34Å; Y72-Q76 PolarHBondContact O-N 3.18Å; G73-Q76 PolarHBondContact O-N 2.7Å; G73-Q76 PolarHBondContact O-NE2 2.89Å
77L98.5Very high97.9Very high1 Ų135.5 Ų35.51%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-88.4116.8-180-69.9167.2000110.7Y72 W82 L101 C112 V113 V116 W126Y72-L77 PolarHBondContact N-O 3.19Å; Y72-L77 VanDerWaalsContact N-O 3.13Å; Y72-L77 PolarHBondContact O-N 3.06Å; L77-W82 HydrophobicContact CB-CB 4.32Å; L77-W82 HydrophobicContact CD2-CB 4.4Å; L77-W82 HydrophobicContact CD2-CG 4.22Å; L77-L101 HydrophobicContact CB-CD1 3.82Å; L77-L101 HydrophobicContact CD1-CD1 3.71Å; L77-L101 HydrophobicContact CD1-CD2 3.67Å; L77-L101 HydrophobicContact CD1-CG 4.33Å; L77-L101 HydrophobicContact CG-CD1 4.39Å; L77-C112 HydrophobicContact CD1-CB 3.84Å; L77-V113 HydrophobicContact CD1-CG1 4.44Å; L77-V113 HydrophobicContact CD2-CG1 4.04Å; L77-V113 HydrophobicContact CG-CG1 4.48Å; L77-V116 HydrophobicContact CD2-CG2 3.78Å; L77-W126 HydrophobicContact CD2-CZ2 4.29Å
78N98.3Very high98Very high18 Ų1830.4 Ų30.410%0.09618%0.176CC..EExtended strand (participates in β ladder)trans-67.7130.7-175-171.7-84.7000114.4N65 S69 S70 E71 A80 W81 W82N65-N78 PolarHBondContact ND2-ND2 2.84Å; S69-N78 PolarHBondContact OG-ND2 3.42Å; S70-N78 CarbonylContact O-C 3.54Å; S70-N78 WeakPolarHBondContact O-CA 3.13Å; E71-N78 PolarHBondContact OE1-ND2 3.4Å; E71-N78 WeakPolarHBondContact OE2-CA 3.4Å; E71-N78 WeakPolarHBondContact OE2-CB 3.45Å; E71-N78 PolarHBondContact OE2-N 2.83Å; N78-A80 VanDerWaalsContact C-N 3.31Å; N78-A80 PolarHBondContact O-N 3.37Å; N78-A80 WeakPolarHBondContact OD1-CA 3.22Å; N78-A80 WeakPolarHBondContact OD1-CB 3.24Å; N78-A80 PolarHBondContact OD1-N 3.5Å; N78-W81 PolarHBondContact O-N 2.79Å; N78-W82 PolarHBondContact O-N 2.86Å
79S98.6Very high98.1Very high0 Ų034.2 Ų34.20%019%0.193CC..THydrogen-bonded Turntrans-67.8-17.917962.50000115.4S69 S70 W81 T88 T90S69-S79 WeakPolarHBondContact CA-OG 3.03Å; S70-S79 PolarHBondContact N-OG 3.1Å; S70-S79 PolarHBondContact O-N 3.21Å; S70-S79 PolarHBondContact O-OG 3.26Å; S79-W81 VanDerWaalsContact C-N 3.27Å; S79-T88 PolarHBondContact OG-OG1 3.26Å; S79-T90 WeakPolarHBondContact O-CB 2.96Å; S79-T90 PolarHBondContact O-OG1 3.26Å
80A98.3Very high98.1Very high21 Ų2136.2 Ų36.217%0.17421%0.206CC..THydrogen-bonded Turntrans-76.3-18.5175.300000112.3N78 T88 T90 K91N78-A80 VanDerWaalsContact C-N 3.31Å; N78-A80 PolarHBondContact O-N 3.37Å; N78-A80 WeakPolarHBondContact OD1-CA 3.22Å; N78-A80 WeakPolarHBondContact OD1-CB 3.24Å; N78-A80 PolarHBondContact OD1-N 3.5Å; A80-T88 HydrophobicContact CB-CG2 4.11Å; A80-T90 WeakPolarHBondContact O-CA 3.46Å; A80-K91 PolarHBondContact O-N 2.9Å
81W97.7Very high98Very high141 Ų14142.5 Ų42.553%0.53423%0.232SC..THydrogen-bonded Turntrans-122.2-47.8-171.6-6498.9000113.9N78 S79 K91 N92 L93N78-W81 PolarHBondContact O-N 2.79Å; S79-W81 VanDerWaalsContact C-N 3.27Å; W81-K91 HydrophobicContact CE3-CG 3.86Å; W81-K91 HydrophobicContact CZ3-CG 4.1Å; W81-N92 PolarHBondContact O-N 3.28Å; W81-L93 WeakPolarHBondContact O-CB 3.27Å; W81-L93 WeakPolarHBondContact O-CG 3.46Å; W81-L93 PolarHBondContact O-N 2.87Å
82W98.3Very high98Very high39 Ų3942.3 Ų42.315%0.14823%0.232CC..THydrogen-bonded Turntrans-103.2-42.4-159.6-59.6113.4000113.7L77 N78 N92 L93 C94 Q115 V116L77-W82 HydrophobicContact CB-CB 4.32Å; L77-W82 HydrophobicContact CD2-CB 4.4Å; L77-W82 HydrophobicContact CD2-CG 4.22Å; N78-W82 PolarHBondContact O-N 2.86Å; W82-N92 CarbonylContact O-C 3.59Å; W82-N92 PolarHBondContact O-OD1 3.12Å; W82-L93 HydrophobicContact CE3-CB 3.79Å; W82-L93 HydrophobicContact CE3-CD1 4.02Å; W82-L93 HydrophobicContact CH2-CD1 4.03Å; W82-L93 HydrophobicContact CZ3-CB 3.92Å; W82-L93 HydrophobicContact CZ3-CD1 3.63Å; W82-L93 HydrophobicContact CZ3-CG 4.44Å; W82-L93 PolarHBondContact O-N 2.82Å; W82-C94 VanDerWaalsContact O-CB 3.26Å; W82-C94 WeakPolarHBondContact O-CB 3.3Å; W82-C94 PolarHBondContact O-N 2.84Å; W82-Q115 HydrophobicContact CZ3-CG 4.46Å; W82-V116 HydrophobicContact CD2-CG2 3.63Å; W82-V116 HydrophobicContact CE3-CG2 3.75Å; W82-V116 HydrophobicContact CG-CG2 4.31Å; W82-V116 HydrophobicContact CH2-CB 4.07Å; W82-V116 HydrophobicContact CH2-CG1 4.14Å; W82-V116 HydrophobicContact CH2-CG2 3.83Å; W82-V116 HydrophobicContact CZ2-CB 4.02Å; W82-V116 HydrophobicContact CZ2-CG1 3.68Å; W82-V116 HydrophobicContact CZ2-CG2 3.69Å; W82-V116 HydrophobicContact CZ3-CB 4.44Å; W82-V116 HydrophobicContact CZ3-CG2 3.85Å
83C98.6Very high98Very high0 Ų044.5 Ų44.50%024%0.244CC..  trans-128.1170.7-179.361.60000111.1T90 N92 M96 C98 L101C83-T90 PolarHBondContact O-OG1 2.92Å; C83-N92 WeakPolarHBondContact CA-OD1 3.26Å; C83-M96 HydrophobicContact CB-CG 4.01Å; C83-C98 HydrophobicContact CB-CB 3.92Å; C83-C98 WeakPolarHBondContact CB-SG 3.27Å; C83-C98 WeakPolarHBondContact SG-CA 3.16Å; C83-C98 WeakPolarHBondContact SG-CB 3.38Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 3.18Å; C83-L101 HydrophobicContact CB-CD1 4.16Å
84D98.6Very high98Very high61 Ų6145.6 Ų45.633%0.32625%0.252SS..BIsolated β-bridgetrans-112.3128175.1-169-6000110.9G86 T90 N92 M96 D97 C98D84-G86 PolarHBondContact OD1-N 2.94Å; D84-T90 HydrophobicContact CB-CG2 3.85Å; D84-N92 HydrophobicContact CB-CB 4.32Å; D84-M96 PolarHBondContact N-O 3.05Å; D84-D97 CarbonylContact O-C 3.51Å; D84-D97 WeakPolarHBondContact O-CA 3.4Å; D84-C98 PolarHBondContact N-SG 3.09Å; D84-C98 PolarHBondContact O-N 3.38Å
85N97.7Very high98Very high24 Ų2453.2 Ų53.213%0.12829%0.287CS..  trans-112.64.2174.769.2-6.3000113Y72 I87 T88 C98Y72-N85 PolarHBondContact OH-ND2 2.92Å; N85-I87 PolarHBondContact O-N 3.28Å; N85-I87 PolarHBondContact OD1-N 3.07Å; N85-T88 PolarHBondContact OD1-N 3.02Å; N85-C98 HydrophobicContact CB-CB 3.99Å
86G97.3Very high97.9Very high71 Ų7154.5 Ų54.573%0.73229%0.293SS*.SBendtrans705.5-176.500000115.4D84D84-G86 PolarHBondContact OD1-N 2.94Å
87I95.7Very high97.9Very high137 Ų13757.4 Ų57.470%0.70331%0.309SS*.SBendtrans-114.5-52.8-177.3-58.8170000110.6N85N85-I87 PolarHBondContact O-N 3.28Å; N85-I87 PolarHBondContact OD1-N 3.07Å
88T96.3Very high97.9Very high16 Ų1657.4 Ų57.410%0.09831%0.309CS..SBendtrans-90.4131.2-177-40.80000110.1G68 S79 A80 N85 T90G68-T88 PolarHBondContact O-OG1 3.01Å; S79-T88 PolarHBondContact OG-OG1 3.26Å; A80-T88 HydrophobicContact CB-CG2 4.11Å; N85-T88 PolarHBondContact OD1-N 3.02Å; T88-T90 PolarHBondContact O-N 3.4Å
89P97.5Very high97.8Very high121 Ų12160.6 Ų60.679%0.78633%0.326SS*.  trans-57.2123169.3-24.234.3000110.9
90T98.1Very high97.8Very high42 Ų4264.5 Ų64.526%0.25835%0.347SS..  trans-126.3153.3-167-174.60000114S79 A80 C83 D84 T88 N92S79-T90 WeakPolarHBondContact O-CB 2.96Å; S79-T90 PolarHBondContact O-OG1 3.26Å; A80-T90 WeakPolarHBondContact O-CA 3.46Å; C83-T90 PolarHBondContact O-OG1 2.92Å; D84-T90 HydrophobicContact CB-CG2 3.85Å; T88-T90 PolarHBondContact O-N 3.4Å; T90-N92 HydrophobicContact CG2-CB 3.87Å; T90-N92 PolarHBondContact OG1-N 3.07Å
91K97.9Very high97.8Very high141 Ų14163.5 Ų63.561%0.61334%0.339SS*.  trans-80.1-23.2163-60.4-57.8-176.8-172.10112.7A80 W81 L93A80-K91 PolarHBondContact O-N 2.9Å; W81-K91 HydrophobicContact CE3-CG 3.86Å; W81-K91 HydrophobicContact CZ3-CG 4.1Å; K91-L93 VanDerWaalsContact C-N 3.3Å; K91-L93 HydrophobicContact CB-CD2 4.19Å; K91-L93 HydrophobicContact CB-CG 3.91Å; K91-L93 PolarHBondContact O-N 2.95Å
92N98.3Very high97.8Very high31 Ų3157.4 Ų57.417%0.16632%0.317CS..  trans40.855.4-176.2-168.35.4000112.7W81 W82 C83 D84 T90 C94 H95 M96W81-N92 PolarHBondContact O-N 3.28Å; W82-N92 CarbonylContact O-C 3.59Å; W82-N92 PolarHBondContact O-OD1 3.12Å; C83-N92 WeakPolarHBondContact CA-OD1 3.26Å; D84-N92 HydrophobicContact CB-CB 4.32Å; T90-N92 HydrophobicContact CG2-CB 3.87Å; T90-N92 PolarHBondContact OG1-N 3.07Å; N92-C94 PolarHBondContact O-N 2.71Å; N92-H95 PolarHBondContact O-N 3.04Å; N92-H95 PolarHBondContact O-ND1 3.14Å; N92-H95 VanDerWaalsContact OD1-CA 3.28Å; N92-H95 WeakPolarHBondContact OD1-CA 3.37Å; N92-H95 PolarHBondContact OD1-N 2.94Å; N92-M96 PolarHBondContact OD1-N 3.21Å; N92-M96 PolarHBondContact OD1-O 2.77Å
93L98.1Very high97.7Very high63 Ų6357.6 Ų57.633%0.3332%0.321SS..THydrogen-bonded Turntrans-65.1-25.1-173.7-68.5174.2000113.2W81 W82 K91 Q115W81-L93 WeakPolarHBondContact O-CB 3.27Å; W81-L93 WeakPolarHBondContact O-CG 3.46Å; W81-L93 PolarHBondContact O-N 2.87Å; W82-L93 HydrophobicContact CE3-CB 3.79Å; W82-L93 HydrophobicContact CE3-CD1 4.02Å; W82-L93 HydrophobicContact CH2-CD1 4.03Å; W82-L93 HydrophobicContact CZ3-CB 3.92Å; W82-L93 HydrophobicContact CZ3-CD1 3.63Å; W82-L93 HydrophobicContact CZ3-CG 4.44Å; W82-L93 PolarHBondContact O-N 2.82Å; K91-L93 VanDerWaalsContact C-N 3.3Å; K91-L93 HydrophobicContact CB-CD2 4.19Å; K91-L93 HydrophobicContact CB-CG 3.91Å; K91-L93 PolarHBondContact O-N 2.95Å; L93-Q115 PolarHBondContact O-NE2 2.8Å; L93-Q115 PolarHBondContact O-OE1 2.85Å
94C98.3Very high97.6Very high22 Ų2262.3 Ų62.315%0.14934%0.338CS..THydrogen-bonded Turntrans-90.3-2.3175.5-62.60000113.1W82 N92 M96 C112W82-C94 VanDerWaalsContact O-CB 3.26Å; W82-C94 WeakPolarHBondContact O-CB 3.3Å; W82-C94 PolarHBondContact O-N 2.84Å; N92-C94 PolarHBondContact O-N 2.71Å; C94-M96 HydrophobicContact CB-CG 4.03Å; C94-M96 HydrophobicContact CB-SD 3.83Å; C94-M96 PolarHBondContact O-N 3Å; C94-C112 HydrophobicContact CB-CB 3.75Å; C94-C112 WeakPolarHBondContact CB-SG 3.29Å; C94-C112 WeakPolarHBondContact SG-CA 3.19Å; C94-C112 WeakPolarHBondContact SG-CB 3.22Å; C94-C112 CovalentContact SG-SG 2.03Å; C94-C112 PolarHBondContact SG-SG 2.95Å
95H98Very high97.5Very high161 Ų16164.8 Ų64.875%0.74535%0.348SS*.  trans54.747.1176.6-56.2-55.8000113.7N92N92-H95 PolarHBondContact O-N 3.04Å; N92-H95 PolarHBondContact O-ND1 3.14Å; N92-H95 VanDerWaalsContact OD1-CA 3.28Å; N92-H95 WeakPolarHBondContact OD1-CA 3.37Å; N92-H95 PolarHBondContact OD1-N 2.94Å
96M97.8Very high97.5Very high26 Ų2663.6 Ų63.613%0.12834%0.341CS..SBendtrans-142.6162.2-174.966.7-170.4-58.300112.9C83 D84 N92 C94 D100 L101 D108 C112C83-M96 HydrophobicContact CB-CG 4.01Å; D84-M96 PolarHBondContact N-O 3.05Å; N92-M96 PolarHBondContact OD1-N 3.21Å; N92-M96 PolarHBondContact OD1-O 2.77Å; C94-M96 HydrophobicContact CB-CG 4.03Å; C94-M96 HydrophobicContact CB-SD 3.83Å; C94-M96 PolarHBondContact O-N 3Å; M96-D100 HydrophobicContact CE-CB 3.81Å; M96-L101 HydrophobicContact CE-CD2 3.44Å; M96-L101 VanDerWaalsContact CE-CD2 3.44Å; M96-L101 HydrophobicContact CE-CG 3.87Å; M96-L101 HydrophobicContact SD-CD2 3.9Å; M96-L101 HydrophobicContact SD-CG 4.4Å; M96-D108 HydrophobicContact CE-CB 3.79Å; M96-D108 WeakPolarHBondContact CE-OD2 2.98Å; M96-C112 HydrophobicContact SD-CB 4.16Å
97D98.3Very high97.6Very high70 Ų7064.6 Ų64.637%0.37433%0.329SS..BIsolated β-bridgetrans-79.2138171.3-167.7-60.7000109.2D84 N99 D100D84-D97 CarbonylContact O-C 3.51Å; D84-D97 WeakPolarHBondContact O-CA 3.4Å; D97-N99 PolarHBondContact O-N 3.12Å; D97-N99 VanDerWaalsContact OD1-CB 3.25Å; D97-N99 WeakPolarHBondContact OD1-CB 3.41Å; D97-N99 PolarHBondContact OD1-N 3.3Å; D97-N99 PolarHBondContact OD1-ND2 3.25Å; D97-D100 PolarHBondContact N-OD2 3.38Å; D97-D100 WeakPolarHBondContact O-CB 3.47Å; D97-D100 PolarHBondContact O-N 3.16Å
98C98.4Very high97.6Very high0 Ų060 Ų600%031%0.306CS..THydrogen-bonded Turntrans-62.7-24.3178.7-64.40000112.8Y72 C83 D84 N85 D100 L101Y72-C98 HydrophobicContact CD1-CB 3.65Å; Y72-C98 HydrophobicContact CD2-CB 3.81Å; Y72-C98 HydrophobicContact CE1-CB 3.72Å; Y72-C98 HydrophobicContact CE2-CB 3.89Å; Y72-C98 HydrophobicContact CG-CB 3.72Å; C83-C98 HydrophobicContact CB-CB 3.92Å; C83-C98 WeakPolarHBondContact CB-SG 3.27Å; C83-C98 WeakPolarHBondContact SG-CA 3.16Å; C83-C98 WeakPolarHBondContact SG-CB 3.38Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 3.18Å; D84-C98 PolarHBondContact N-SG 3.09Å; D84-C98 PolarHBondContact O-N 3.38Å; N85-C98 HydrophobicContact CB-CB 3.99Å; C98-D100 VanDerWaalsContact C-N 3.26Å; C98-D100 PolarHBondContact O-N 3.1Å; C98-L101 WeakPolarHBondContact O-CB 3.09Å; C98-L101 PolarHBondContact O-N 3.04Å
99N97.2Very high97.8Very high86 Ų8659.3 Ų59.346%0.4630%0.302SS..THydrogen-bonded Turntrans-69.9-23.3175.1-64.6-62.6000112.9D97 L101 L102D97-N99 PolarHBondContact O-N 3.12Å; D97-N99 VanDerWaalsContact OD1-CB 3.25Å; D97-N99 WeakPolarHBondContact OD1-CB 3.41Å; D97-N99 PolarHBondContact OD1-N 3.3Å; D97-N99 PolarHBondContact OD1-ND2 3.25Å; N99-L101 PolarHBondContact O-N 3.41Å; N99-L102 PolarHBondContact O-N 3.01Å; N99-L102 VanDerWaalsContact O-N 3.14Å
100D97.4Very high97.8Very high81 Ų8153.7 Ų53.743%0.43327%0.265SS..G310 helixtrans-61.2-32.7174.5-65.8-29.5000109.7M96 D97 C98 L102 N103 D108M96-D100 HydrophobicContact CE-CB 3.81Å; D97-D100 PolarHBondContact N-OD2 3.38Å; D97-D100 WeakPolarHBondContact O-CB 3.47Å; D97-D100 PolarHBondContact O-N 3.16Å; C98-D100 VanDerWaalsContact C-N 3.26Å; C98-D100 PolarHBondContact O-N 3.1Å; D100-L102 PolarHBondContact O-N 3.26Å; D100-N103 PolarHBondContact O-ND2 3.44Å; D100-D108 VanDerWaalsContact O-OD2 3.13Å
101L98.3Very high97.8Very high0 Ų057.3 Ų57.30%028%0.282CS..G310 helixtrans-72-8.5178.8-57.9171.2000114.8L77 C83 M96 C98 N99 D109L77-L101 HydrophobicContact CB-CD1 3.82Å; L77-L101 HydrophobicContact CD1-CD1 3.71Å; L77-L101 HydrophobicContact CD1-CD2 3.67Å; L77-L101 HydrophobicContact CD1-CG 4.33Å; L77-L101 HydrophobicContact CG-CD1 4.39Å; C83-L101 HydrophobicContact CB-CD1 4.16Å; M96-L101 HydrophobicContact CE-CD2 3.44Å; M96-L101 VanDerWaalsContact CE-CD2 3.44Å; M96-L101 HydrophobicContact CE-CG 3.87Å; M96-L101 HydrophobicContact SD-CD2 3.9Å; M96-L101 HydrophobicContact SD-CG 4.4Å; C98-L101 WeakPolarHBondContact O-CB 3.09Å; C98-L101 PolarHBondContact O-N 3.04Å; N99-L101 PolarHBondContact O-N 3.41Å; L101-D109 HydrophobicContact CD2-CB 4.17Å
102L98.2Very high97.8Very high14 Ų1450.6 Ų50.67%0.07325%0.253CS..G310 helixtrans-940.1-172.7-57.8-178.1000114V17 T59 V62 Y72 N99 D100V17-L102 HydrophobicContact CG1-CB 3.5Å; V17-L102 VanDerWaalsContact CG1-CB 3.5Å; V17-L102 WeakPolarHBondContact CG1-O 3.04Å; T59-L102 CarbonylContact O-C 3.5Å; T59-L102 VanDerWaalsContact O-CA 3.26Å; T59-L102 WeakPolarHBondContact O-CA 3.38Å; V62-L102 HydrophobicContact CG2-CD1 3.9Å; V62-L102 HydrophobicContact CG2-CD2 3.65Å; V62-L102 HydrophobicContact CG2-CG 4.45Å; Y72-L102 HydrophobicContact CD1-CD1 4.08Å; Y72-L102 HydrophobicContact CD1-CD2 4Å; Y72-L102 HydrophobicContact CD1-CG 4.18Å; Y72-L102 HydrophobicContact CE1-CD1 4.48Å; N99-L102 PolarHBondContact O-N 3.01Å; N99-L102 VanDerWaalsContact O-N 3.14Å; D100-L102 PolarHBondContact O-N 3.26Å
103N96Very high97.8Very high43 Ų4349.1 Ų49.123%0.2325%0.245CC..SBendtrans-93.5160.2-175.389.679.8000112D18 T59 D100 H105D18-N103 CarbonylContact O-C 3.6Å; T59-N103 WeakPolarHBondContact CB-O 3.4Å; T59-N103 PolarHBondContact OG1-O 3.06Å; D100-N103 PolarHBondContact O-ND2 3.44Å; N103-H105 PolarHBondContact O-N 3.01Å; N103-H105 VanDerWaalsContact O-N 3.1Å; N103-H105 VanDerWaalsContact OD1-CA 3.32Å; N103-H105 WeakPolarHBondContact OD1-CA 3.43Å; N103-H105 WeakPolarHBondContact OD1-CB 3.21Å; N103-H105 PolarHBondContact OD1-N 3.02Å
104R96.7Very high97.9Very high99 Ų9948.4 Ų48.437%0.37424%0.239SC..SBendtrans-63.9-13-179.165.7-175.9-63.5-171.88.5115.5D18 K20 Y22D18-R104 VanDerWaalsContact O-CB 3.27Å; D18-R104 WeakPolarHBondContact O-CB 3.47Å; D18-R104 PolarHBondContact O-N 3.14Å; D18-R104 WeakPolarHBondContact OD2-CD 3.47Å; D18-R104 IonicContact OD2-NH1 3.59Å; K20-R104 HydrophobicContact CB-CB 3.67Å; Y22-R104 PolarHBondContact OH-O 3.44Å
105H96.1Very high97.8Very high112 Ų11251.4 Ų51.452%0.51925%0.251SS..  trans-97.789.8-178-59.4-62.2000111.1N103 L107N103-H105 PolarHBondContact O-N 3.01Å; N103-H105 VanDerWaalsContact O-N 3.1Å; N103-H105 VanDerWaalsContact OD1-CA 3.32Å; N103-H105 WeakPolarHBondContact OD1-CA 3.43Å; N103-H105 WeakPolarHBondContact OD1-CB 3.21Å; N103-H105 PolarHBondContact OD1-N 3.02Å; H105-L107 PolarHBondContact O-N 3.01Å
106I98.1Very high97.8Very high0 Ų043.8 Ų43.80%022%0.216CC..THydrogen-bonded Turntrans-74.723.6-172.163.5168.3000117.1Y22 L27 K30 L31 T59 I74 D109 I110Y22-I106 HydrophobicContact CE2-CD1 4.41Å; Y22-I106 HydrophobicContact CE2-CG2 3.86Å; L27-I106 HydrophobicContact CD1-CD1 3.44Å; L27-I106 VanDerWaalsContact CD1-CD1 3.44Å; K30-I106 HydrophobicContact CG-CD1 3.84Å; K30-I106 HydrophobicContact CG-CG1 3.97Å; L31-I106 HydrophobicContact CD2-CD1 4.09Å; T59-I106 HydrophobicContact CG2-CG2 3.48Å; T59-I106 VanDerWaalsContact CG2-CG2 3.48Å; I74-I106 HydrophobicContact CD1-CG2 4.5Å; I74-I106 HydrophobicContact CG2-CG2 3.99Å; I106-D109 VanDerWaalsContact CA-OD2 3.22Å; I106-D109 WeakPolarHBondContact CA-OD2 3.44Å; I106-D109 HydrophobicContact CB-CB 4.27Å; I106-I110 HydrophobicContact CD1-CD1 3.97Å; I106-I110 HydrophobicContact CG1-CD1 3.95Å; I106-I110 WeakPolarHBondContact O-CB 3.5Å; I106-I110 VanDerWaalsContact O-CD1 3.27Å; I106-I110 WeakPolarHBondContact O-CD1 3.32Å; I106-I110 WeakPolarHBondContact O-CG1 3.15Å; I106-I110 PolarHBondContact O-N 3.26Å; I106-I110 VanDerWaalsContact O-N 3.08Å
107L98.1Very high97.8Very high92 Ų9242.9 Ų42.948%0.48221%0.211SC..Hα-helixtrans-76.6-39.5-173.3-75.6-178.8000112.5A34 H105 I110 I111A34-L107 HydrophobicContact CB-CD2 4.3Å; H105-L107 PolarHBondContact O-N 3.01Å; L107-I110 PolarHBondContact O-N 2.65Å; L107-I111 VanDerWaalsContact O-CG1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.14Å; L107-I111 PolarHBondContact O-N 3.13Å
108D97.8Very high97.7Very high41 Ų4142.2 Ų42.222%0.21921%0.213CC..Hα-helixtrans-65.2-41.7172.153.1-46.8000111.2M96 D100 I110 I111 C112M96-D108 HydrophobicContact CE-CB 3.79Å; M96-D108 WeakPolarHBondContact CE-OD2 2.98Å; D100-D108 VanDerWaalsContact O-OD2 3.13Å; D108-I110 VanDerWaalsContact C-N 3.32Å; D108-I110 PolarHBondContact O-N 3.17Å; D108-I111 PolarHBondContact O-N 2.73Å; D108-C112 PolarHBondContact O-N 3.1Å
109D98.6Very high97.5Very high0 Ų044.5 Ų44.50%023%0.229CC..Hα-helixtrans-54.9-48.6169.4-51.1-123.1000111.3I74 F75 L101 I106 I111 C112 V113I74-D109 HydrophobicContact CG2-CB 4.46Å; F75-D109 HydrophobicContact CD2-CB 3.77Å; F75-D109 HydrophobicContact CE2-CB 3.86Å; L101-D109 HydrophobicContact CD2-CB 4.17Å; I106-D109 VanDerWaalsContact CA-OD2 3.22Å; I106-D109 WeakPolarHBondContact CA-OD2 3.44Å; I106-D109 HydrophobicContact CB-CB 4.27Å; D109-I111 VanDerWaalsContact C-N 3.3Å; D109-I111 PolarHBondContact O-N 3.14Å; D109-C112 PolarHBondContact O-N 3.44Å; D109-C112 VanDerWaalsContact O-N 3.16Å; D109-V113 WeakPolarHBondContact O-CG2 3.31Å; D109-V113 PolarHBondContact O-N 3.13Å
110I98.7Very high97.2Very high3 Ų350.6 Ų50.62%0.01525%0.251CS..Hα-helixtrans-63.1-36.9-179.3-71.2165.4000111.4L31 A34 L36 F75 I106 L107 D108 V113 K114L31-I110 HydrophobicContact CD2-CD1 3.88Å; L31-I110 HydrophobicContact CD2-CG1 4.12Å; A34-I110 HydrophobicContact CB-CD1 3.59Å; A34-I110 HydrophobicContact CB-CG2 3.95Å; L36-I110 HydrophobicContact CD1-CD1 4.49Å; L36-I110 HydrophobicContact CD1-CG1 4.05Å; L36-I110 HydrophobicContact CD1-CG2 3.9Å; L36-I110 HydrophobicContact CD2-CG2 4.12Å; L36-I110 HydrophobicContact CG-CG2 3.9Å; F75-I110 HydrophobicContact CE2-CG1 4.01Å; F75-I110 HydrophobicContact CZ-CG1 4.3Å; I106-I110 HydrophobicContact CD1-CD1 3.97Å; I106-I110 HydrophobicContact CG1-CD1 3.95Å; I106-I110 WeakPolarHBondContact O-CB 3.5Å; I106-I110 VanDerWaalsContact O-CD1 3.27Å; I106-I110 WeakPolarHBondContact O-CD1 3.32Å; I106-I110 WeakPolarHBondContact O-CG1 3.15Å; I106-I110 PolarHBondContact O-N 3.26Å; I106-I110 VanDerWaalsContact O-N 3.08Å; L107-I110 PolarHBondContact O-N 2.65Å; D108-I110 VanDerWaalsContact C-N 3.32Å; D108-I110 PolarHBondContact O-N 3.17Å; I110-V113 WeakPolarHBondContact O-CG2 3.48Å; I110-K114 HydrophobicContact CG2-CD 4.48Å; I110-K114 VanDerWaalsContact O-CG 3.27Å; I110-K114 WeakPolarHBondContact O-CG 3.06Å; I110-K114 PolarHBondContact O-N 3.35Å
111I98.3Very high97Very high118 Ų11851.4 Ų51.461%0.60526%0.255SS*.Hα-helixtrans-64.6-45.5175.6-71.7163.2000109.8L107 D108 D109 K114 Q115L107-I111 VanDerWaalsContact O-CG1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.14Å; L107-I111 PolarHBondContact O-N 3.13Å; D108-I111 PolarHBondContact O-N 2.73Å; D109-I111 VanDerWaalsContact C-N 3.3Å; D109-I111 PolarHBondContact O-N 3.14Å; I111-K114 WeakPolarHBondContact O-CB 3.39Å; I111-K114 PolarHBondContact O-N 3.08Å; I111-Q115 PolarHBondContact O-N 3.3Å
112C98.4Very high96.9Very high1 Ų151.8 Ų51.81%0.00726%0.259CS..Hα-helixtrans-66.3-47.3-179.4-172.50000112.1L77 C94 M96 D108 D109 K114 Q115 V116L77-C112 HydrophobicContact CD1-CB 3.84Å; C94-C112 HydrophobicContact CB-CB 3.75Å; C94-C112 WeakPolarHBondContact CB-SG 3.29Å; C94-C112 WeakPolarHBondContact SG-CA 3.19Å; C94-C112 WeakPolarHBondContact SG-CB 3.22Å; C94-C112 CovalentContact SG-SG 2.03Å; C94-C112 PolarHBondContact SG-SG 2.95Å; M96-C112 HydrophobicContact SD-CB 4.16Å; D108-C112 PolarHBondContact O-N 3.1Å; D109-C112 PolarHBondContact O-N 3.44Å; D109-C112 VanDerWaalsContact O-N 3.16Å; C112-K114 VanDerWaalsContact C-N 3.26Å; C112-K114 PolarHBondContact O-N 3.38Å; C112-Q115 WeakPolarHBondContact O-CA 3.29Å; C112-Q115 VanDerWaalsContact O-CB 3.25Å; C112-Q115 WeakPolarHBondContact O-CB 3.34Å; C112-Q115 PolarHBondContact O-N 2.86Å; C112-V116 WeakPolarHBondContact O-CG2 3.44Å; C112-V116 PolarHBondContact O-N 2.88Å
113V98.1Very high96.8Very high0 Ų051.1 Ų51.10%026%0.256CS..Hα-helixtrans-62.5-30.5178.3-62.20000113.4W47 F75 L77 D109 I110 Q115 V116 V117 W126W47-V113 HydrophobicContact CH2-CG2 4.39Å; W47-V113 HydrophobicContact CZ3-CB 4.12Å; W47-V113 HydrophobicContact CZ3-CG2 3.9Å; F75-V113 HydrophobicContact CB-CG1 3.55Å; F75-V113 HydrophobicContact CD1-CG1 4.47Å; F75-V113 HydrophobicContact CD2-CB 4.4Å; F75-V113 HydrophobicContact CD2-CG1 3.35Å; F75-V113 HydrophobicContact CD2-CG2 4.2Å; F75-V113 HydrophobicContact CE2-CG1 4.13Å; F75-V113 HydrophobicContact CE2-CG2 4.14Å; F75-V113 HydrophobicContact CG-CG1 3.56Å; L77-V113 HydrophobicContact CD1-CG1 4.44Å; L77-V113 HydrophobicContact CD2-CG1 4.04Å; L77-V113 HydrophobicContact CG-CG1 4.48Å; D109-V113 WeakPolarHBondContact O-CG2 3.31Å; D109-V113 PolarHBondContact O-N 3.13Å; I110-V113 WeakPolarHBondContact O-CG2 3.48Å; V113-Q115 PolarHBondContact O-N 3.48Å; V113-V116 WeakPolarHBondContact O-CB 3.42Å; V113-V116 PolarHBondContact O-N 2.77Å; V113-V117 WeakPolarHBondContact O-CG2 3.34Å; V113-V117 PolarHBondContact O-N 2.93Å; V113-W126 HydrophobicContact CB-CH2 4.2Å; V113-W126 HydrophobicContact CG1-CH2 4.18Å; V113-W126 HydrophobicContact CG1-CZ2 3.99Å
114K98.5Very high96.8Very high48 Ų4853 Ų5321%0.20927%0.265CS..Hα-helixtrans-60.5-36.6172-80.7180178.4174.80111.7A34 L36 Y39 I110 I111 C112 S118A34-K114 PolarHBondContact O-NZ 2.64Å; L36-K114 HydrophobicContact CD2-CD 4.28Å; L36-K114 VanDerWaalsContact CD2-CE 3.48Å; L36-K114 HydrophobicContact CD2-CG 3.76Å; Y39-K114 HydrophobicContact CD1-CG 3.94Å; Y39-K114 HydrophobicContact CD2-CD 4.35Å; Y39-K114 HydrophobicContact CD2-CG 4.38Å; Y39-K114 HydrophobicContact CE1-CB 3.72Å; Y39-K114 HydrophobicContact CE1-CD 4.42Å; Y39-K114 HydrophobicContact CE1-CG 3.57Å; Y39-K114 HydrophobicContact CE2-CB 4.47Å; Y39-K114 HydrophobicContact CE2-CD 4Å; Y39-K114 HydrophobicContact CE2-CG 4.05Å; Y39-K114 HydrophobicContact CG-CG 4.33Å; Y39-K114 PolarHBondContact OH-O 3Å; I110-K114 HydrophobicContact CG2-CD 4.48Å; I110-K114 VanDerWaalsContact O-CG 3.27Å; I110-K114 WeakPolarHBondContact O-CG 3.06Å; I110-K114 PolarHBondContact O-N 3.35Å; I111-K114 WeakPolarHBondContact O-CB 3.39Å; I111-K114 PolarHBondContact O-N 3.08Å; C112-K114 VanDerWaalsContact C-N 3.26Å; C112-K114 PolarHBondContact O-N 3.38Å; K114-S118 WeakPolarHBondContact O-CB 3.39Å; K114-S118 PolarHBondContact O-N 3.43Å; K114-S118 PolarHBondContact O-OG 3.44Å
115Q97.8Very high96.8Very high85 Ų8550.3 Ų50.340%0.39727%0.265SS..Hα-helixtrans-70.5-42.6173.8-172.3171-18.900111.4W82 L93 I111 C112 V113 S118 S119W82-Q115 HydrophobicContact CZ3-CG 4.46Å; L93-Q115 PolarHBondContact O-NE2 2.8Å; L93-Q115 PolarHBondContact O-OE1 2.85Å; I111-Q115 PolarHBondContact O-N 3.3Å; C112-Q115 WeakPolarHBondContact O-CA 3.29Å; C112-Q115 VanDerWaalsContact O-CB 3.25Å; C112-Q115 WeakPolarHBondContact O-CB 3.34Å; C112-Q115 PolarHBondContact O-N 2.86Å; V113-Q115 PolarHBondContact O-N 3.48Å; Q115-S118 WeakPolarHBondContact O-CB 3.1Å; Q115-S118 PolarHBondContact O-N 3.02Å; Q115-S118 VanDerWaalsContact O-N 3.16Å; Q115-S119 PolarHBondContact O-N 2.92Å
116V97.8Very high96.8Very high1 Ų145.7 Ų45.71%0.00624%0.243CC..Hα-helixtrans-56.1-53.9175.7-176.40000111.3L77 W82 C112 V113 S118 S119 A125 W126L77-V116 HydrophobicContact CD2-CG2 3.78Å; W82-V116 HydrophobicContact CD2-CG2 3.63Å; W82-V116 HydrophobicContact CE3-CG2 3.75Å; W82-V116 HydrophobicContact CG-CG2 4.31Å; W82-V116 HydrophobicContact CH2-CB 4.07Å; W82-V116 HydrophobicContact CH2-CG1 4.14Å; W82-V116 HydrophobicContact CH2-CG2 3.83Å; W82-V116 HydrophobicContact CZ2-CB 4.02Å; W82-V116 HydrophobicContact CZ2-CG1 3.68Å; W82-V116 HydrophobicContact CZ2-CG2 3.69Å; W82-V116 HydrophobicContact CZ3-CB 4.44Å; W82-V116 HydrophobicContact CZ3-CG2 3.85Å; C112-V116 WeakPolarHBondContact O-CG2 3.44Å; C112-V116 PolarHBondContact O-N 2.88Å; V113-V116 WeakPolarHBondContact O-CB 3.42Å; V113-V116 PolarHBondContact O-N 2.77Å; V116-S118 PolarHBondContact O-N 3.46Å; V116-S119 WeakPolarHBondContact O-CB 3.25Å; V116-S119 PolarHBondContact O-N 2.98Å; V116-S119 PolarHBondContact O-OG 3.21Å; V116-A125 HydrophobicContact CG1-CB 3.67Å; V116-W126 HydrophobicContact CB-CH2 3.53Å; V116-W126 HydrophobicContact CB-CZ2 4.3Å; V116-W126 HydrophobicContact CB-CZ3 4.1Å; V116-W126 HydrophobicContact CG1-CE3 4.36Å; V116-W126 HydrophobicContact CG1-CH2 3.26Å; V116-W126 HydrophobicContact CG1-CZ2 3.96Å; V116-W126 HydrophobicContact CG1-CZ3 3.46Å; V116-W126 VanDerWaalsContact CG1-CZ3 3.46Å; V116-W126 HydrophobicContact CG2-CH2 4.08Å; V116-W126 HydrophobicContact CG2-CZ2 4.4Å
117V97.5Very high96.7Very high6 Ų651.1 Ų51.14%0.03627%0.272CS..Hα-helixtrans-73-11.4-178.4-57.30000113.5Y39 K40 Y42 W47 V113 S119 M123 W126Y39-V117 HydrophobicContact CD1-CG2 3.74Å; Y39-V117 HydrophobicContact CE1-CG2 3.48Å; Y39-V117 VanDerWaalsContact CE1-CG2 3.48Å; K40-V117 HydrophobicContact CG-CG2 4.25Å; Y42-V117 HydrophobicContact CE2-CB 4.28Å; W47-V117 HydrophobicContact CH2-CB 4.3Å; W47-V117 HydrophobicContact CH2-CG1 3.57Å; W47-V117 HydrophobicContact CH2-CG2 3.81Å; W47-V117 HydrophobicContact CZ2-CG1 4.48Å; W47-V117 HydrophobicContact CZ2-CG2 4.31Å; W47-V117 HydrophobicContact CZ3-CG1 4.11Å; V113-V117 WeakPolarHBondContact O-CG2 3.34Å; V113-V117 PolarHBondContact O-N 2.93Å; V117-S119 VanDerWaalsContact C-N 3.26Å; V117-M123 HydrophobicContact CG1-CG 3.71Å; V117-W126 HydrophobicContact CG1-CH2 4.19Å; V117-W126 HydrophobicContact CG1-CZ3 3.71Å
118S96.5Very high96.5Very high57 Ų5747.6 Ų47.640%0.39926%0.255SS..THydrogen-bonded Turntrans-80.4-9.7169.9-66.90000112.7Y39 K40 K114 Q115 V116Y39-S118 PolarHBondContact OH-OG 3.28Å; Y39-S118 VanDerWaalsContact OH-OG 3.13Å; K40-S118 VanDerWaalsContact CE-OG 3.23Å; K40-S118 WeakPolarHBondContact CE-OG 3.47Å; K114-S118 WeakPolarHBondContact O-CB 3.39Å; K114-S118 PolarHBondContact O-N 3.43Å; K114-S118 PolarHBondContact O-OG 3.44Å; Q115-S118 WeakPolarHBondContact O-CB 3.1Å; Q115-S118 PolarHBondContact O-N 3.02Å; Q115-S118 VanDerWaalsContact O-N 3.16Å; V116-S118 PolarHBondContact O-N 3.46Å
119S92.7Very high96.4Very high48 Ų4845.9 Ų45.934%0.33625%0.246SC..SBendtrans-70.3170.9169.180.50000111.6Q115 V116 V117 N121 G122Q115-S119 PolarHBondContact O-N 2.92Å; V116-S119 WeakPolarHBondContact O-CB 3.25Å; V116-S119 PolarHBondContact O-N 2.98Å; V116-S119 PolarHBondContact O-OG 3.21Å; V117-S119 VanDerWaalsContact C-N 3.26Å; S119-N121 PolarHBondContact O-N 3.32Å; S119-N121 VanDerWaalsContact O-N 3.1Å; S119-G122 PolarHBondContact O-N 3.42Å
120K90.9Very high96.3Very high213 Ų21348 Ų4893%0.92626%0.261SS*.THydrogen-bonded Turntrans-58.6-25.3-178.1-68.6-174.8178.5-179.50114
121N93.1Very high96.2Very high99 Ų9955 Ų5553%0.52929%0.287SS..THydrogen-bonded Turntrans-87.7-16.6-174-64.7-10.1000112.9S119 M123 N124 A125S119-N121 PolarHBondContact O-N 3.32Å; S119-N121 VanDerWaalsContact O-N 3.1Å; N121-M123 PolarHBondContact O-N 3.22Å; N121-N124 HydrophobicContact CB-CB 4.47Å; N121-N124 VanDerWaalsContact O-CB 3.24Å; N121-N124 WeakPolarHBondContact O-CB 3.48Å; N121-N124 PolarHBondContact O-N 3.02Å; N121-N124 PolarHBondContact O-ND2 3.21Å; N121-A125 HydrophobicContact CB-CB 4.43Å
122G96.3Very high96.2Very high8 Ų852.6 Ų52.68%0.08227%0.273CS..G310 helixtrans57-136.8-17300000111.3S119 N124 A125S119-G122 PolarHBondContact O-N 3.42Å; G122-N124 VanDerWaalsContact C-N 3.25Å; G122-N124 PolarHBondContact O-N 3.38Å; G122-A125 PolarHBondContact O-N 3.16Å
123M96.9Very high96.1Very high0 Ų052.6 Ų52.60%027%0.273CS..G310 helixtrans-73.1-9173.2-70.9-173.9112.100114.4Y42 D46 W47 M50 V117 N121 A125 W126 W129Y42-M123 HydrophobicContact CD1-CB 4.5Å; Y42-M123 HydrophobicContact CD1-CG 3.93Å; Y42-M123 HydrophobicContact CD1-SD 3.34Å; Y42-M123 WeakPolarHBondContact CD1-SD 3.39Å; Y42-M123 HydrophobicContact CD2-CG 3.91Å; Y42-M123 HydrophobicContact CD2-SD 4Å; Y42-M123 HydrophobicContact CE1-CB 3.89Å; Y42-M123 HydrophobicContact CE1-CG 3.74Å; Y42-M123 HydrophobicContact CE1-SD 3.72Å; Y42-M123 HydrophobicContact CE2-CB 4.35Å; Y42-M123 HydrophobicContact CE2-CG 3.72Å; Y42-M123 HydrophobicContact CE2-SD 4.33Å; Y42-M123 HydrophobicContact CG-CG 4.01Å; Y42-M123 HydrophobicContact CG-SD 3.49Å; Y42-M123 PolarHBondContact OH-N 2.89Å; D46-M123 HydrophobicContact CB-CE 4.47Å; D46-M123 HydrophobicContact CB-SD 3.97Å; W47-M123 HydrophobicContact CD2-CE 3.76Å; W47-M123 HydrophobicContact CE3-CE 3.46Å; W47-M123 VanDerWaalsContact CE3-CE 3.46Å; W47-M123 HydrophobicContact CG-CE 4.37Å; W47-M123 HydrophobicContact CH2-CE 4.32Å; W47-M123 HydrophobicContact CZ3-CE 3.77Å; M50-M123 HydrophobicContact CB-CE 3.9Å; M50-M123 HydrophobicContact CE-CE 3.99Å; M50-M123 HydrophobicContact CG-CE 4.3Å; V117-M123 HydrophobicContact CG1-CG 3.71Å; N121-M123 PolarHBondContact O-N 3.22Å; M123-A125 PolarHBondContact O-N 2.91Å; M123-A125 VanDerWaalsContact O-N 3.07Å; M123-W126 PolarHBondContact O-N 2.82Å; M123-W126 VanDerWaalsContact O-N 3.1Å; M123-W129 VanDerWaalsContact C-CE3 3.4Å; M123-W129 HydrophobicContact CB-CD2 3.45Å; M123-W129 VanDerWaalsContact CB-CD2 3.45Å; M123-W129 VanDerWaalsContact CB-CE2 3.44Å; M123-W129 HydrophobicContact CB-CE3 3.89Å; M123-W129 HydrophobicContact CB-CG 3.82Å; M123-W129 HydrophobicContact CB-CH2 4.23Å; M123-W129 HydrophobicContact CB-CZ2 3.84Å; M123-W129 HydrophobicContact CB-CZ3 4.28Å
124N96.4Very high96Very high81 Ų8158.1 Ų58.143%0.43330%0.297SS..G310 helixtrans-68.4-1168.9-67.1-79.1000112.9N121 G122 W126 W129 S130N121-N124 HydrophobicContact CB-CB 4.47Å; N121-N124 VanDerWaalsContact O-CB 3.24Å; N121-N124 WeakPolarHBondContact O-CB 3.48Å; N121-N124 PolarHBondContact O-N 3.02Å; N121-N124 PolarHBondContact O-ND2 3.21Å; G122-N124 VanDerWaalsContact C-N 3.25Å; G122-N124 PolarHBondContact O-N 3.38Å; N124-W126 PolarHBondContact O-N 3.19Å; N124-W129 HydrophobicContact CB-CZ3 4.26Å; N124-W129 VanDerWaalsContact CG-CZ3 3.41Å; N124-W129 VanDerWaalsContact OD1-CZ3 3.22Å; N124-W129 WeakPolarHBondContact OD1-CZ3 3.47Å; N124-S130 PolarHBondContact OD1-OG 3.1Å
125A95.8Very high95.7Very high44 Ų4463.1 Ų63.136%0.36433%0.326SS..G310 helixtrans-65.2-18.9167.100000112.4V116 N121 G122 M123V116-A125 HydrophobicContact CG1-CB 3.67Å; N121-A125 HydrophobicContact CB-CB 4.43Å; G122-A125 PolarHBondContact O-N 3.16Å; M123-A125 PolarHBondContact O-N 2.91Å; M123-A125 VanDerWaalsContact O-N 3.07Å
126W96.9Very high95.4Very high14 Ų1464.4 Ų64.45%0.05333%0.332CS..SBendtrans-108.4114.7175.4-68.4-91000110.6M50 F75 L77 V113 V116 V117 M123 N124 S128 W129 S130M50-W126 HydrophobicContact CE-CZ2 4.32Å; M50-W126 HydrophobicContact CG-CB 4.35Å; M50-W126 HydrophobicContact CG-CD2 4.43Å; M50-W126 HydrophobicContact CG-CG 4.18Å; M50-W126 HydrophobicContact SD-CD2 4.4Å; M50-W126 HydrophobicContact SD-CG 4.37Å; F75-W126 PolarHBondContact O-NE1 3.16Å; L77-W126 HydrophobicContact CD2-CZ2 4.29Å; V113-W126 HydrophobicContact CB-CH2 4.2Å; V113-W126 HydrophobicContact CG1-CH2 4.18Å; V113-W126 HydrophobicContact CG1-CZ2 3.99Å; V116-W126 HydrophobicContact CB-CH2 3.53Å; V116-W126 HydrophobicContact CB-CZ2 4.3Å; V116-W126 HydrophobicContact CB-CZ3 4.1Å; V116-W126 HydrophobicContact CG1-CE3 4.36Å; V116-W126 HydrophobicContact CG1-CH2 3.26Å; V116-W126 HydrophobicContact CG1-CZ2 3.96Å; V116-W126 HydrophobicContact CG1-CZ3 3.46Å; V116-W126 VanDerWaalsContact CG1-CZ3 3.46Å; V116-W126 HydrophobicContact CG2-CH2 4.08Å; V116-W126 HydrophobicContact CG2-CZ2 4.4Å; V117-W126 HydrophobicContact CG1-CH2 4.19Å; V117-W126 HydrophobicContact CG1-CZ3 3.71Å; M123-W126 PolarHBondContact O-N 2.82Å; M123-W126 VanDerWaalsContact O-N 3.1Å; N124-W126 PolarHBondContact O-N 3.19Å; W126-S128 PolarHBondContact O-N 3.2Å; W126-W129 HydrophobicContact CB-CB 3.99Å; W126-W129 WeakPolarHBondContact O-CB 3.27Å; W126-W129 PolarHBondContact O-N 2.93Å; W126-W129 VanDerWaalsContact O-N 3.13Å; W126-S130 PolarHBondContact O-N 3.39Å
127D95.3Very high95.1Very high114 Ų11470.5 Ų70.561%0.6136%0.364SS*.Hα-helixtrans-60.2-33.4177.6-77.7-11.9000111.9W129 S130 R131D127-W129 VanDerWaalsContact C-N 3.34Å; D127-S130 PolarHBondContact O-N 3.38Å; D127-R131 WeakPolarHBondContact O-CB 3.33Å; D127-R131 WeakPolarHBondContact O-CG 3.49Å; D127-R131 PolarHBondContact O-N 2.76Å; D127-R131 PolarHBondContact O-NE 2.88Å
128S94Very high95Very high18 Ų1871.2 Ų71.213%0.12637%0.368CS..Hα-helixtrans-67.8-35.9178.7-43.10000111.6E54 W126 R131 H132E54-S128 WeakPolarHBondContact OE1-CB 3.27Å; E54-S128 PolarHBondContact OE1-OG 2.66Å; W126-S128 PolarHBondContact O-N 3.2Å; S128-R131 PolarHBondContact O-N 3.24Å; S128-H132 WeakPolarHBondContact O-CB 3.47Å; S128-H132 PolarHBondContact O-CD2 3.06Å; S128-H132 VanDerWaalsContact O-CD2 3.28Å; S128-H132 PolarHBondContact O-N 3.13Å
129W96.7Very high94.7Very high6 Ų671.6 Ų71.62%0.02337%0.37CS..Hα-helixtrans-62.7-48.3173.2174.685000111.2Y42 M50 M123 N124 W126 D127 R131 H132 C133 F134Y42-W129 HydrophobicContact CE1-CH2 4.4Å; Y42-W129 AromaticContact CE1-CZ2 3.81Å; Y42-W129 HydrophobicContact CE1-CZ2 3.81Å; M50-W129 HydrophobicContact CB-CB 4.38Å; M50-W129 HydrophobicContact CG-CB 4.18Å; M123-W129 VanDerWaalsContact C-CE3 3.4Å; M123-W129 HydrophobicContact CB-CD2 3.45Å; M123-W129 VanDerWaalsContact CB-CD2 3.45Å; M123-W129 VanDerWaalsContact CB-CE2 3.44Å; M123-W129 HydrophobicContact CB-CE3 3.89Å; M123-W129 HydrophobicContact CB-CG 3.82Å; M123-W129 HydrophobicContact CB-CH2 4.23Å; M123-W129 HydrophobicContact CB-CZ2 3.84Å; M123-W129 HydrophobicContact CB-CZ3 4.28Å; N124-W129 HydrophobicContact CB-CZ3 4.26Å; N124-W129 VanDerWaalsContact CG-CZ3 3.41Å; N124-W129 VanDerWaalsContact OD1-CZ3 3.22Å; N124-W129 WeakPolarHBondContact OD1-CZ3 3.47Å; W126-W129 HydrophobicContact CB-CB 3.99Å; W126-W129 WeakPolarHBondContact O-CB 3.27Å; W126-W129 PolarHBondContact O-N 2.93Å; W126-W129 VanDerWaalsContact O-N 3.13Å; D127-W129 VanDerWaalsContact C-N 3.34Å; W129-R131 PolarHBondContact O-N 2.97Å; W129-H132 PolarHBondContact O-N 3Å; W129-C133 HydrophobicContact CG-CB 4.14Å; W129-C133 WeakPolarHBondContact O-CA 3.23Å; W129-C133 WeakPolarHBondContact O-CB 3.4Å; W129-C133 PolarHBondContact O-N 2.83Å; W129-F134 HydrophobicContact CD2-CB 4.36Å; W129-F134 HydrophobicContact CE3-CB 4.15Å; W129-F134 HydrophobicContact CH2-CB 3.83Å; W129-F134 AromaticContact CH2-CD2 3.17Å; W129-F134 HydrophobicContact CH2-CD2 3.17Å; W129-F134 AromaticContact CH2-CE2 3.96Å; W129-F134 HydrophobicContact CH2-CE2 3.96Å; W129-F134 AromaticContact CH2-CG 3.76Å; W129-F134 HydrophobicContact CH2-CG 3.76Å; W129-F134 HydrophobicContact CZ2-CB 4.03Å; W129-F134 AromaticContact CZ2-CD2 3.64Å; W129-F134 HydrophobicContact CZ2-CD2 3.64Å; W129-F134 HydrophobicContact CZ2-CG 4.26Å; W129-F134 HydrophobicContact CZ3-CB 3.83Å; W129-F134 AromaticContact CZ3-CD2 3.87Å; W129-F134 HydrophobicContact CZ3-CD2 3.87Å; W129-F134 AromaticContact CZ3-CG 3.99Å; W129-F134 HydrophobicContact CZ3-CG 3.99Å; W129-F134 PolarHBondContact O-N 3.21Å
130S96.1Very high94.6Very high45 Ų4574.7 Ų74.732%0.31538%0.379SS..Hα-helixtrans-62.4-32.8179.5-61.20000112.3N124 W126 D127N124-S130 PolarHBondContact OD1-OG 3.1Å; W126-S130 PolarHBondContact O-N 3.39Å; D127-S130 PolarHBondContact O-N 3.38Å
131R96.9Very high94.8Very high149 Ų14966.6 Ų66.656%0.56234%0.343SS*.Hα-helixtrans-82.2-31.7-178.7-77.6-175.9-86.5130.2-10.8114.8D127 S128 W129D127-R131 WeakPolarHBondContact O-CB 3.33Å; D127-R131 WeakPolarHBondContact O-CG 3.49Å; D127-R131 PolarHBondContact O-N 2.76Å; D127-R131 PolarHBondContact O-NE 2.88Å; S128-R131 PolarHBondContact O-N 3.24Å; W129-R131 PolarHBondContact O-N 2.97Å
132H96.9Very high94.9Very high67 Ų6764 Ų6431%0.3133%0.329SS..Hα-helixtrans-123.6-14.6-166.9-60.1-68.3000114.9Y53 S128 W129Y53-H132 HydrophobicContact CD1-CB 3.92Å; Y53-H132 AromaticContact CD1-CD2 3.55Å; Y53-H132 AromaticContact CD1-CG 3.58Å; Y53-H132 HydrophobicContact CD2-CB 3.5Å; Y53-H132 HydrophobicContact CE1-CB 3.81Å; Y53-H132 AromaticContact CE1-CD2 3.92Å; Y53-H132 AromaticContact CE1-CG 3.51Å; Y53-H132 AromaticContact CE1-ND1 3.61Å; Y53-H132 HydrophobicContact CE2-CB 3.4Å; Y53-H132 VanDerWaalsContact CE2-CB 3.4Å; Y53-H132 HydrophobicContact CG-CB 3.76Å; Y53-H132 AromaticContact CG-CD2 3.88Å; Y53-H132 AromaticContact CG-CG 3.88Å; Y53-H132 AromaticContact CZ-CG 3.77Å; Y53-H132 AromaticContact CZ-ND1 3.95Å; S128-H132 WeakPolarHBondContact O-CB 3.47Å; S128-H132 PolarHBondContact O-CD2 3.06Å; S128-H132 VanDerWaalsContact O-CD2 3.28Å; S128-H132 PolarHBondContact O-N 3.13Å; W129-H132 PolarHBondContact O-N 3Å
133C97.4Very high94.8Very high1 Ų169.4 Ų69.41%0.00735%0.35CS..THydrogen-bonded Turntrans-124.8-40.7-169.7-55.10000113.1C49 W129 D135 H136 L138C49-C133 HydrophobicContact CB-CB 3.78Å; C49-C133 WeakPolarHBondContact CB-SG 3.37Å; C49-C133 WeakPolarHBondContact SG-CA 3.12Å; C49-C133 WeakPolarHBondContact SG-CB 3.25Å; C49-C133 CovalentContact SG-SG 2.03Å; C49-C133 PolarHBondContact SG-SG 2.8Å; W129-C133 HydrophobicContact CG-CB 4.14Å; W129-C133 WeakPolarHBondContact O-CA 3.23Å; W129-C133 WeakPolarHBondContact O-CB 3.4Å; W129-C133 PolarHBondContact O-N 2.83Å; C133-D135 PolarHBondContact O-N 3.21Å; C133-H136 PolarHBondContact O-N 3.05Å; C133-L138 HydrophobicContact CB-CD1 4.43Å
134F95.1Very high94.6Very high117 Ų11773.2 Ų73.251%0.51339%0.39SS..THydrogen-bonded Turntrans-62.1133.6180-178.6-110.7000111.4W129 H136W129-F134 HydrophobicContact CD2-CB 4.36Å; W129-F134 HydrophobicContact CE3-CB 4.15Å; W129-F134 HydrophobicContact CH2-CB 3.83Å; W129-F134 AromaticContact CH2-CD2 3.17Å; W129-F134 HydrophobicContact CH2-CD2 3.17Å; W129-F134 AromaticContact CH2-CE2 3.96Å; W129-F134 HydrophobicContact CH2-CE2 3.96Å; W129-F134 AromaticContact CH2-CG 3.76Å; W129-F134 HydrophobicContact CH2-CG 3.76Å; W129-F134 HydrophobicContact CZ2-CB 4.03Å; W129-F134 AromaticContact CZ2-CD2 3.64Å; W129-F134 HydrophobicContact CZ2-CD2 3.64Å; W129-F134 HydrophobicContact CZ2-CG 4.26Å; W129-F134 HydrophobicContact CZ3-CB 3.83Å; W129-F134 AromaticContact CZ3-CD2 3.87Å; W129-F134 HydrophobicContact CZ3-CD2 3.87Å; W129-F134 AromaticContact CZ3-CG 3.99Å; W129-F134 HydrophobicContact CZ3-CG 3.99Å; W129-F134 PolarHBondContact O-N 3.21Å; F134-H136 PolarHBondContact O-CD2 2.96Å; F134-H136 PolarHBondContact O-N 3.21Å
135D93.3Very high94.5Very high152 Ų15270.3 Ų70.381%0.81338%0.376SS*.THydrogen-bonded Turntrans61.216.8-179.3-154.136.5000115.5C133C133-D135 PolarHBondContact O-N 3.21Å
136H91.1Very high94.2Very high113 Ų11374.4 Ų74.452%0.52339%0.392SS..SBendtrans-99.8153.6172.5-71.7-82.8000112.1C133 F134 L138C133-H136 PolarHBondContact O-N 3.05Å; F134-H136 PolarHBondContact O-CD2 2.96Å; F134-H136 PolarHBondContact O-N 3.21Å; H136-L138 HydrophobicContact CB-CD2 4.09Å; H136-L138 PolarHBondContact O-N 2.92Å
137D92.4Very high93.5Very high129 Ų12975.2 Ų75.269%0.6940%0.396SS*.  trans-71.8110.7167.2-178.88.3000109.9S139D137-S139 VanDerWaalsContact CG-OG 3.28Å; D137-S139 WeakPolarHBondContact OD1-CB 3.03Å; D137-S139 PolarHBondContact OD1-N 3.49Å; D137-S139 PolarHBondContact OD1-OG 2.04Å; D137-S139 PolarHBondContact OD2-OG 2.85Å; D137-S139 VanDerWaalsContact OD2-OG 3.04Å
138L94.6Very high92.3Very high20 Ų2078.8 Ų78.811%0.10541%0.406CS..  trans-98.511.2-179.2-57.6-173.2000113.1D46 C49 C133 H136 E140 W141D46-L138 HydrophobicContact CB-CD1 4.36Å; D46-L138 WeakPolarHBondContact OD1-CD1 3.33Å; C49-L138 HydrophobicContact CB-CD1 4.08Å; C49-L138 HydrophobicContact CB-CD2 4.03Å; C133-L138 HydrophobicContact CB-CD1 4.43Å; H136-L138 HydrophobicContact CB-CD2 4.09Å; H136-L138 PolarHBondContact O-N 2.92Å; L138-E140 VanDerWaalsContact C-N 3.25Å; L138-E140 PolarHBondContact O-N 2.95Å; L138-W141 WeakPolarHBondContact O-CB 3.06Å; L138-W141 PolarHBondContact O-N 3.17Å; L138-W141 VanDerWaalsContact O-N 3.11Å
139S90.5Very high90.7Very high65 Ų6580.5 Ų80.546%0.45542%0.416SS..G310 helixtrans-59.9-33.8-179.464.60000113.2D137 W141 L142 K143D137-S139 VanDerWaalsContact CG-OG 3.28Å; D137-S139 WeakPolarHBondContact OD1-CB 3.03Å; D137-S139 PolarHBondContact OD1-N 3.49Å; D137-S139 PolarHBondContact OD1-OG 2.04Å; D137-S139 PolarHBondContact OD2-OG 2.85Å; D137-S139 VanDerWaalsContact OD2-OG 3.04Å; S139-W141 PolarHBondContact O-N 3.03Å; S139-L142 PolarHBondContact O-N 2.91Å; S139-L142 VanDerWaalsContact O-N 3.14Å; S139-K143 PolarHBondContact O-N 2.87Å
140E91.2Very high88.8Confident113 Ų11388.5 Ų88.553%0.52845%0.451SS..G310 helixtrans-61.5-27.1177.3-69.7-67.9138.200112.5L138 L142 K143L138-E140 VanDerWaalsContact C-N 3.25Å; L138-E140 PolarHBondContact O-N 2.95Å; E140-L142 PolarHBondContact O-N 2.98Å; E140-L142 VanDerWaalsContact O-N 3.16Å; E140-K143 VanDerWaalsContact CD-NZ 3.26Å; E140-K143 WeakPolarHBondContact O-CB 3.03Å; E140-K143 PolarHBondContact O-N 3.36Å; E140-K143 WeakPolarHBondContact OE1-CD 3.49Å; E140-K143 IonicContact OE1-NZ 2.75Å; E140-K143 PolarHBondContact OE1-NZ 3.28Å; E140-K143 WeakPolarHBondContact OE2-CD 3.26Å; E140-K143 IonicContact OE2-NZ 2.92Å; E140-K143 PolarHBondContact OE2-NZ 3.42Å
141W95.3Very high86.9Confident43 Ų4390.9 Ų90.916%0.16347%0.465CS..G310 helixtrans-64.6-20.3177.5-71.9103000113.9R24 L48 C49 H52 Y53 F57 L138 S139R24-W141 WeakPolarHBondContact CD-O 3.37Å; R24-W141 HydrophobicContact CG-CE3 4.28Å; R24-W141 PolarHBondContact NH1-O 2.78Å; L48-W141 HydrophobicContact CB-CB 4.21Å; L48-W141 HydrophobicContact CB-CD2 4.18Å; L48-W141 HydrophobicContact CB-CE3 3.92Å; L48-W141 HydrophobicContact CB-CG 4.32Å; L48-W141 HydrophobicContact CD1-CB 4.09Å; L48-W141 WeakPolarHBondContact CD1-O 3.46Å; C49-W141 HydrophobicContact CB-CD2 4.4Å; C49-W141 HydrophobicContact CB-CZ2 4.14Å; H52-W141 HydrophobicContact CB-CH2 3.41Å; H52-W141 VanDerWaalsContact CB-CH2 3.41Å; H52-W141 HydrophobicContact CB-CZ2 4.22Å; H52-W141 HydrophobicContact CB-CZ3 3.83Å; H52-W141 AromaticContact CD2-CH2 3.56Å; H52-W141 AromaticContact CG-CH2 3.37Å; H52-W141 AromaticContact CG-CZ3 3.99Å; Y53-W141 HydrophobicContact CE2-CZ2 4.44Å; F57-W141 HydrophobicContact CE2-CZ3 4.33Å; F57-W141 HydrophobicContact CZ-CE3 4.3Å; F57-W141 AromaticContact CZ-CZ3 3.73Å; F57-W141 HydrophobicContact CZ-CZ3 3.73Å; L138-W141 WeakPolarHBondContact O-CB 3.06Å; L138-W141 PolarHBondContact O-N 3.17Å; L138-W141 VanDerWaalsContact O-N 3.11Å; S139-W141 PolarHBondContact O-N 3.03Å
142L94.3Very high85.1Confident46 Ų4685.5 Ų85.524%0.24145%0.447CS..G310 helixtrans-109.6-6.7178.6-64.9-178.3000113.2A28 I44 L48 S139 E140 G144 C145 M147 V149A28-L142 HydrophobicContact CB-CD2 4.19Å; I44-L142 HydrophobicContact CB-CD2 4.24Å; I44-L142 HydrophobicContact CG2-CD2 3.87Å; L48-L142 HydrophobicContact CD1-CD2 3.84Å; S139-L142 PolarHBondContact O-N 2.91Å; S139-L142 VanDerWaalsContact O-N 3.14Å; E140-L142 PolarHBondContact O-N 2.98Å; E140-L142 VanDerWaalsContact O-N 3.16Å; L142-G144 PolarHBondContact O-N 3.05Å; L142-C145 WeakPolarHBondContact O-CB 3.33Å; L142-C145 PolarHBondContact O-N 2.79Å; L142-M147 HydrophobicContact CD2-CE 4.45Å; L142-M147 HydrophobicContact CD2-SD 3.46Å; L142-M147 WeakPolarHBondContact CD2-SD 3.06Å; L142-V149 HydrophobicContact CD1-CG2 4.44Å
143K93.6Very high83.2Confident120 Ų12087.9 Ų87.952%0.52246%0.462SS..THydrogen-bonded Turntrans-59.2129.9-178.8-170.2177.2-174.8172.40111.2R24 S139 E140 C145R24-K143 PolarHBondContact NH1-O 3.25Å; R24-K143 PolarHBondContact NH2-O 2.92Å; S139-K143 PolarHBondContact O-N 2.87Å; E140-K143 VanDerWaalsContact CD-NZ 3.26Å; E140-K143 WeakPolarHBondContact O-CB 3.03Å; E140-K143 PolarHBondContact O-N 3.36Å; E140-K143 WeakPolarHBondContact OE1-CD 3.49Å; E140-K143 IonicContact OE1-NZ 2.75Å; E140-K143 PolarHBondContact OE1-NZ 3.28Å; E140-K143 WeakPolarHBondContact OE2-CD 3.26Å; E140-K143 IonicContact OE2-NZ 2.92Å; E140-K143 PolarHBondContact OE2-NZ 3.42Å; K143-C145 PolarHBondContact O-N 2.03Å
144G93.3Very high81.3Confident81 Ų8194.9 Ų94.984%0.83550%0.495SS*.THydrogen-bonded Turntrans74.1-0.1-178.400000115.2L142L142-G144 PolarHBondContact O-N 3.05Å
145C94.3Very high79.4Confident20 Ų2094.3 Ų94.314%0.13549%0.492CS..  trans-82.9125172-56.50000110.1R24 C25 L142 K143 M147R24-C145 PolarHBondContact NH1-SG 3.18Å; C25-C145 WeakPolarHBondContact CA-SG 3.36Å; C25-C145 HydrophobicContact CB-CB 3.76Å; C25-C145 WeakPolarHBondContact CB-SG 3.12Å; C25-C145 WeakPolarHBondContact SG-CA 3.43Å; C25-C145 WeakPolarHBondContact SG-CB 3.36Å; C25-C145 CovalentContact SG-SG 2.05Å; C25-C145 PolarHBondContact SG-SG 2.97Å; L142-C145 WeakPolarHBondContact O-CB 3.33Å; L142-C145 PolarHBondContact O-N 2.79Å; K143-C145 PolarHBondContact O-N 2.03Å; C145-M147 VanDerWaalsContact C-N 3.29Å; C145-M147 HydrophobicContact CB-CG 3.78Å; C145-M147 HydrophobicContact CB-SD 4.13Å; C145-M147 PolarHBondContact O-N 3.4Å
146D89.4Confident77.7Confident130 Ų13091.2 Ų91.270%0.69548%0.475SS*.  trans-72.985.2169.417533.3000109.7K29K29-D146 WeakPolarHBondContact CE-O 3.49Å; K29-D146 PolarHBondContact NZ-O 3.29Å
147M81.7Confident75.9Confident31 Ų3190.3 Ų90.315%0.15347%0.472CS..  trans-118.5142.3-177.8-69.2-16867.900111.6A28 K29 E32 I44 L142 C145 V149A28-M147 HydrophobicContact CB-CE 4.1Å; A28-M147 HydrophobicContact CB-SD 3.45Å; A28-M147 WeakPolarHBondContact CB-SD 3.4Å; K29-M147 HydrophobicContact CG-CG 4.42Å; E32-M147 HydrophobicContact CB-CE 3.7Å; E32-M147 HydrophobicContact CG-CE 4.16Å; E32-M147 WeakPolarHBondContact OE2-CE 3.06Å; I44-M147 HydrophobicContact CB-CE 4.49Å; I44-M147 HydrophobicContact CG1-CE 4.24Å; I44-M147 HydrophobicContact CG2-CE 4.17Å; L142-M147 HydrophobicContact CD2-CE 4.45Å; L142-M147 HydrophobicContact CD2-SD 3.46Å; L142-M147 WeakPolarHBondContact CD2-SD 3.06Å; C145-M147 VanDerWaalsContact C-N 3.29Å; C145-M147 HydrophobicContact CB-CG 3.78Å; C145-M147 HydrophobicContact CB-SD 4.13Å; C145-M147 PolarHBondContact O-N 3.4Å; M147-V149 HydrophobicContact CB-CG2 3.52Å; M147-V149 HydrophobicContact CE-CG2 3.87Å; M147-V149 HydrophobicContact CG-CG2 4.46Å; M147-V149 PolarHBondContact O-N 2.85Å; M147-V149 HydrophobicContact SD-CG2 4.19Å
148K70Confident74.2Confident189 Ų18990.2 Ų90.282%0.82247%0.468SS*.  trans-92.652.9172.6-63.3-174-178.8-177.80109.7K150K148-K150 PolarHBondContact O-N 3Å; K148-K150 VanDerWaalsContact O-N 3.1Å
149V60.5Low72.1Confident53 Ų5395 Ų9532%0.32149%0.493SS..  trans-67.2114.1-178.8-168.90000108.3E32 L142 M147 P151E32-V149 WeakPolarHBondContact OE1-CA 3.39Å; E32-V149 PolarHBondContact OE1-N 3.22Å; L142-V149 HydrophobicContact CD1-CG2 4.44Å; M147-V149 HydrophobicContact CB-CG2 3.52Å; M147-V149 HydrophobicContact CE-CG2 3.87Å; M147-V149 HydrophobicContact CG-CG2 4.46Å; M147-V149 PolarHBondContact O-N 2.85Å; M147-V149 HydrophobicContact SD-CG2 4.19Å; V149-P151 WeakPolarHBondContact O-CD 3.48Å
150K57.7Low70.5Confident174 Ų17495.6 Ų95.676%0.75750%0.502SS*.  trans-64.1122.9165.6-72.3-175.4179.61800107.5K148 N152K148-K150 PolarHBondContact O-N 3Å; K148-K150 VanDerWaalsContact O-N 3.1Å; K150-N152 PolarHBondContact O-N 2.82Å
151P56.1Low68.6Low96 Ų9696.4 Ų96.462%0.62351%0.51SS*.  trans-56.6133.2179.94.8-9.1000110.2V149 L153 I156V149-P151 WeakPolarHBondContact O-CD 3.48Å; P151-L153 PolarHBondContact O-N 3.46Å; P151-I156 HydrophobicContact CB-CD1 3.65Å
152N58.5Low66.3Low35 Ų35101.4 Ų101.419%0.18755%0.552CS.*  trans-72100.1170.3-175.1-9000108.1N38 K150 E154 K155 I156N38-N152 PolarHBondContact OD1-ND2 3.44Å; K150-N152 PolarHBondContact O-N 2.82Å; N152-E154 PolarHBondContact O-N 3.24Å; N152-E154 PolarHBondContact OD1-N 2.98Å; N152-K155 PolarHBondContact O-N 3.19Å; N152-I156 WeakPolarHBondContact O-CG1 3.48Å; N152-I156 PolarHBondContact O-N 2.93Å
153L57.3Low64.9Low118 Ų118104.2 Ų104.262%0.61857%0.567SS**Hα-helixtrans-62.6-27.1-175.1-15968.9000112.2P151 I157P151-L153 PolarHBondContact O-N 3.46Å; L153-I157 HydrophobicContact CG-CD1 4.33Å; L153-I157 WeakPolarHBondContact O-CD1 3.35Å; L153-I157 VanDerWaalsContact O-CG1 3.28Å; L153-I157 WeakPolarHBondContact O-CG1 3.4Å; L153-I157 PolarHBondContact O-N 3.06Å
154E57.4Low63.4Low147 Ų147103.4 Ų103.469%0.68757%0.57SS**Hα-helixtrans-71.1-41.7-179.6-65.2-178.6164.600112.4N152 I157 H158N152-E154 PolarHBondContact O-N 3.24Å; N152-E154 PolarHBondContact OD1-N 2.98Å; E154-I157 PolarHBondContact O-N 3.18Å; E154-H158 PolarHBondContact O-N 3.07Å
155K55.2Low61.7Low105 Ų105104.6 Ų104.646%0.45756%0.555SS.*Hα-helixtrans-69.5-32.9175.5-89.4-175.5175.7-179.90112.5N152 H158 N159N152-K155 PolarHBondContact O-N 3.19Å; K155-H158 PolarHBondContact O-N 3.28Å; K155-N159 PolarHBondContact O-N 3.22Å; K155-N159 VanDerWaalsContact O-N 3.09Å
156I57Low59.8Low88 Ų88109.6 Ų109.645%0.45158%0.58SS.*Hα-helixtrans-64.7-42.7176.2-66.1169.7000110.5P151 N152 N159 A160P151-I156 HydrophobicContact CB-CD1 3.65Å; N152-I156 WeakPolarHBondContact O-CG1 3.48Å; N152-I156 PolarHBondContact O-N 2.93Å; I156-N159 PolarHBondContact O-N 3.1Å; I156-A160 VanDerWaalsContact O-CB 3.29Å; I156-A160 WeakPolarHBondContact O-CB 3.28Å; I156-A160 PolarHBondContact O-N 3.37Å
157I54.6Low58Low93 Ų93108.3 Ų108.348%0.47757%0.573SS.*Hα-helixtrans-66.9-37.8179-67.2165.2000111L153 E154 N161L153-I157 HydrophobicContact CG-CD1 4.33Å; L153-I157 WeakPolarHBondContact O-CD1 3.35Å; L153-I157 VanDerWaalsContact O-CG1 3.28Å; L153-I157 WeakPolarHBondContact O-CG1 3.4Å; L153-I157 PolarHBondContact O-N 3.06Å; E154-I157 PolarHBondContact O-N 3.18Å; I157-N161 PolarHBondContact O-N 3.03Å; I157-N161 PolarHBondContact O-ND2 3.27Å
158H54.9Low56.4Low127 Ų127113.5 Ų113.559%0.58860%0.601SS**Hα-helixtrans-64-45.7175.9-171.4-72.2000112E154 K155 A160 N161 S162E154-H158 PolarHBondContact O-N 3.07Å; K155-H158 PolarHBondContact O-N 3.28Å; H158-A160 PolarHBondContact O-N 3.15Å; H158-N161 PolarHBondContact O-N 2.89Å; H158-S162 PolarHBondContact O-N 3.21Å
159N52.3Low55.4Low121 Ų121108.1 Ų108.165%0.64759%0.585SS**Hα-helixtrans-73.6-23.9-179.2-68.8-7.3000113.7K155 I156 N161K155-N159 PolarHBondContact O-N 3.22Å; K155-N159 VanDerWaalsContact O-N 3.09Å; I156-N159 PolarHBondContact O-N 3.1Å; N159-N161 VanDerWaalsContact C-N 3.29Å
160A54.9Low55Low77 Ų77112.3 Ų112.364%0.63661%0.605SS**Hα-helixtrans-78.5-14175.200000113.5I156 H158I156-A160 VanDerWaalsContact O-CB 3.29Å; I156-A160 WeakPolarHBondContact O-CB 3.28Å; I156-A160 PolarHBondContact O-N 3.37Å; H158-A160 PolarHBondContact O-N 3.15Å
161N51.3Low54.8Low130 Ų130107.2 Ų107.270%0.69559%0.592SS**  trans-112.78-177.8-68-47.8000113.3I157 H158 N159I157-N161 PolarHBondContact O-N 3.03Å; I157-N161 PolarHBondContact O-ND2 3.27Å; H158-N161 PolarHBondContact O-N 2.89Å; N159-N161 VanDerWaalsContact C-N 3.29Å
162S47.9Very low54.7Low149 Ų149108.2 Ų108.2100%1.04259%0.59SS**  trans-106.40169.9-73.70000111.4H158H158-S162 PolarHBondContact O-N 3.21Å

Retrieved 162 of 162 residues in 166 ms (Link to these results)

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